SCHEMBL4564401

SCHEMBL4564401

C=CCc1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
XDH P47989 1/20 0.41
GABRA1 P14867 7/20 0.39
GABRB2 P47870 7/20 0.39
CNR2 P34972 5/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
CNR1 P21554 2/20 0.39
KMT2A Q03164 2/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH2 P05091 1/20 0.39

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
Water SCHEMBL28100235 0.89 ALDH1A1 (0.54) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL20779 0.86
SCHEMBL584333 0.86 ALDH1A1 (0.56) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL9559643 0.84 MAOB (0.35) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL9268874 0.84 ALDH1A1 (0.45) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Water SCHEMBL29179560 0.81 ALDH1A1 (0.61) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL27869120 0.80 HRH3 (0.33) TSHRGAAPTGS1HRH3
SCHEMBL173301 0.78 ALDH1A1 (0.64) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL6515287 0.78 ALDH1A1 (0.41) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL1533221 0.77 TAAR1 (0.50) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15

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 97 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105238360-B Working fluid composition for refrigerator and refrigerator oil 吉坤日矿日石能源株式会社 2020-05-05 CN claimed
EP-2134781-A1 USE OF LOW TRIPHENYLPHOSPHATE, HIGH PHOSPHOROUS CONTENT ISOPROPYL PHENYL PHOSPHATES AS FLAME RETARDANTS IN POLYURETHANE OR POLYISOCYANURATE FOAMS Albemarle Corporation (US) 2009-12-23 EP claimed
WO-2008118699-A1 USE OF LOW TRIPHENYLPHOSPHATE, HIGH PHOSPHOROUS CONTENT ISOPROPYL PHENYL PHOSPHATES AS FLAME RETARDANTS IN POLYURETHANE OR POLYISOCYANURATE FOAMS ALBEMARLE CORPORATION (US) 2008-10-02 WO claimed
JP-2007514018-A 2007-05-31 JP claimed
EP-1697474-A2 NOVEL SHELF-STABLE PHOTOCURABLE SILICONE COATING FORMULATIONS GENERAL ELECTRIC COMPANY (US) 2006-09-06 EP claimed
WO-2005054387-A2 NOVEL SHELF-STABLE PHOTOCURABLE SILICONE COATING FORMULATIONS GENERAL ELECTRIC COMPANY (US) 2005-06-16 WO claimed
US-20050113479-A1 Novel shelf-stable photocurable silicone coating formulations MOMENTIVE PERFORMANCE MATERIALS INC. 2005-05-26 US claimed
CN-1582287-A Thiophenylthiopyrane dioxides as MMP or TNF-alpha inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2005-02-16 CN claimed
US-5182273-A Antitumor, anticancer PIERRE FABRE MEDICAMENT (FR) 1993-01-26 US claimed
US-5013478-A Electromagnetic radiation resistance; miscibility; dielectrics; rotation and guest/host cells HOFFMANN-LA ROCHE INC. (US) 1991-05-07 US claimed
US-4676604-A RADIATION RESISTANCE; MISCIBILITY; ROTATION ELECTROPTICAL CELLS HOFFMANN-LA ROCHE INC. (US) 1987-06-30 US claimed
US-4613208-A ELECTROOPTICS; ULTRAVIOLET RADIATION STABILITY; QUICK RESPONSE HOFFMANN-LA ROCHE INC. (US) 1986-09-23 US claimed
EP-0107116-B1 DICYANOBENZENES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-08-27 EP claimed
US-4583826-A Phenylethanes HOFFMANN-LA ROCHE INC. (US) 1986-04-22 US claimed
US-4565425-A Liquid crystals HOFFMANN-LA ROCHE INC. (US) 1986-01-21 US claimed
US-4460770-A Liquid crystal mixture HOFFMANN-LA ROCHE INC. (US) 1984-07-17 US claimed
EP-0110205-A2 Coloured liquid crystal mixtures containing phenyl ethanes F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-06-13 EP claimed
US-4452718-A Pyridazines HOFFMANN-LA ROCHE INC. (US) 1984-06-05 US claimed
US-4419262-A Pyridazines HOFFMANN-LA ROCHE INC. (US) 1983-12-06 US claimed
EP-0012401-A1 Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them MERCK & CO. INC. (US) 1980-06-25 EP claimed