SCHEMBL6919173

SCHEMBL6919173

C=CCc1ccc([C]=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
XDH P47989 1/20 0.42
MAPT P10636 3/20 0.41
CNR2 P34972 3/20 0.41
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
GAA P10253 2/20 0.41
CNR1 P21554 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH2 P05091 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL173301 0.80 ALDH1A1 (0.64) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL6265509 0.79 FFAR1 (0.32) FFAR1
SCHEMBL1920239 0.77
SCHEMBL987797 0.77 ALDH1A1 (0.47) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL4349882 0.77 ALDH1A1 (0.47) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL991288 0.77 LOXL2 (0.52) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Phosphine SCHEMBL28908227 0.77 ALDH1A1 (0.61) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Water SCHEMBL29179560 0.77 ALDH1A1 (0.61) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Bromide SCHEMBL8645583 0.77 ALDH1A1 (0.61) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL10490648 0.75 HDAC1 (0.36) ALDH1A1TSHRMEN1KMT2AHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4868241-A POLYVINYL ALCOHOL MODIFIED WITH BENZOIC ACID DERIVATIVE AMERICAN CYANAMID COMPANY (US) 1989-09-19 US claimed
EP-0231922-A2 Electron beam and X-ray resists AMERICAN CYANAMID COMPANY (US) 1987-08-12 EP claimed
US-4619788-A HEXASUBSTITUTED TRIBENZOCYCLONONATRIENE MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 1986-10-28 US claimed
CN-106083927-B Phosphino- amidine compound, metal complex, antigravity system and their oligomeric or olefin polymerization purposes 切弗朗菲利浦化学公司 2018-10-26 CN disclosed
CN-106083927-A Phosphinyl amidine compound, metal complex, antigravity system and their oligomeric or purposes of olefin polymerization 切弗朗菲利浦化学公司 2016-11-09 CN disclosed
CN-102781949-B Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use for oligomerizing or polymerizing olefins 切弗朗菲利浦化学公司 2016-07-06 CN disclosed
EP-1389216-A2 AVERMECTINS SUBSTITUTED IN THE 4\"-POSITION HAVING PESTICIDAL PROPERTIES Syngenta Participations AG (CH) 2004-02-18 EP disclosed
EP-1363926-A1 SALTS OF AVERMECTINS SUBSTITUTED IN THE 4\"-POSITION AND HAVING PESTICIDAL PROPERTIES Syngenta Participations AG (CH) 2003-11-26 EP disclosed
WO-2002068442-A1 SALTS OF AVERMECTINS SUBSTITUTED IN THE 4'-POSITION AND HAVING PESTICIDAL PROPERTIES SYNGENTA PARTICIPATIONS AG (CH) 2002-09-06 WO disclosed
WO-2002068441-A2 AVERMECTINS SUBSTITUTED IN THE 4'-POSITION HAVING PESTICIDAL PROPERTIES SYNGENTA PARTICIPATIONS AG (CH) 2002-09-06 WO disclosed
EP-0300800-B1 MACROCYCLIC TETRAMERS HAVING COLUMNAR TRIDIMENSIONAL MESOPHASES ECP ENICHEM POLIMERI S.r.l. (IT) 1991-10-16 EP disclosed
US-4918217-A MEMORY DEVICE, OPTO-ELECTRONIC DISPLAY OR NON-LINEAR OPTICAL DEVICE MONTEDISON S.P.A. (IT) 1990-04-17 US disclosed
US-4918217-A MEMORY DEVICE, OPTO-ELECTRONIC DISPLAY OR NON-LINEAR OPTICAL DEVICE MONTEDISON S.P.A. (IT) 1990-04-17 US disclosed
US-4868241-A POLYVINYL ALCOHOL MODIFIED WITH BENZOIC ACID DERIVATIVE AMERICAN CYANAMID COMPANY (US) 1989-09-19 US disclosed
EP-0300800-A1 Macrocyclic tetramers having columnar tridimensional mesophases ECP ENICHEM POLIMERI S.r.l. (IT) 1989-01-25 EP disclosed
US-4752406-A IMPROVED ECOLOGICAL AND TOXICOLOGICAL CHARACTERISTICS HENKEKL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1988-06-21 US disclosed
EP-0231922-A2 Electron beam and X-ray resists AMERICAN CYANAMID COMPANY (US) 1987-08-12 EP disclosed
US-4619788-A HEXASUBSTITUTED TRIBENZOCYCLONONATRIENE MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 1986-10-28 US disclosed