SCHEMBL4592209

SCHEMBL4592209

C=C(C(=O)O)c1ccc2[nH]ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 5/20 0.56
WNT3A P56704 5/20 0.56
F2 P00734 1/20 0.53
RAB9A P51151 3/20 0.50
MAPT P10636 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
ENPP2 Q13822 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48

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
SCHEMBL8446047 0.86 ALDH1A1 (0.69) MAPTKDM4EALDH1A1HPGDENPP2
SCHEMBL26098431 0.85 F2 (0.60) CTNNB1WNT3AF2RAB9AMAPT
Formaldehyde SCHEMBL27620564 0.82 KDM4E (0.68) CTNNB1WNT3AF2RAB9AMAPT
SCHEMBL4591385 0.82 CTNNB1 (0.59) CTNNB1WNT3AF2RAB9AMAPT
SCHEMBL105928 0.82 KDM4E (0.72) CTNNB1WNT3AF2RAB9AMAPT
SCHEMBL19470049 0.80 F2 (0.58) CTNNB1WNT3AF2RAB9AMAPT
Bromide SCHEMBL6614789 0.80 KDM4E (0.70) CTNNB1WNT3AF2RAB9AMAPT
Hydrochloric Acid SCHEMBL698541 0.80 KDM4E (0.70) CTNNB1WNT3AF2RAB9AMAPT
SCHEMBL27594531 0.80 TUBB4A (0.67) CTNNB1WNT3AF2RAB9AMAPT
SCHEMBL6447473 0.78 F2 (0.59) CTNNB1WNT3AF2RAB9AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104531041-B Polyether-type urethane acrylate UV-cured adhesive and preparation method thereof 烟台泰盛精化科技有限公司 2017-05-10 CN disclosed
EP-1893561-A1 CINNAMIC, PHENYLPROPIOLIC AND PHENYLPROPANOIC ACID DERIVATIVES USEFUL AS ANTI-TUMOUR AGENTS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-03-05 EP disclosed
WO-2006131482-A1 CINNAMIC, PHENYLPROPIOLIC AND PHENYLPROPANOIC ACID DERIVATIVES USEFUL AS ANTI-TUMOUR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-12-14 WO disclosed
EP-0290145-A1 Aliphatic carboxamides ZENECA INC. (US) 1988-11-09 EP disclosed