SCHEMBL3937846

SCHEMBL3937846

CC(O)=CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ARG2 P78540 1/20 0.45
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TRPA1 O75762 1/20 0.41
NOS2 P35228 2/20 0.40
CALM1 P0DP23 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
TOP1 P11387 1/20 0.37
GAA P10253 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
THRB P10828 1/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL9327534 1.00 MAOB (0.52) MAOBCA1CA2ARG2TP53
SCHEMBL9327526 1.00 MAOB (0.52) MAOBCA1CA2ARG2TP53
SCHEMBL1586710 0.85 MAOB (0.52) MAOBCA1CA2ARG2TP53
SCHEMBL6891100 0.85 MAOB (0.52) MAOBCA1CA2ARG2TP53
SCHEMBL25228665 0.83 MAOB (0.50) MAOBCA1CA2ARG2TP53
Ammonia Solution, Strong SCHEMBL27544194 0.83 MAOB (0.50) MAOBCA1CA2ARG2TP53
SCHEMBL7449629 0.81 MAOB (0.48) MAOBCA1CA2ARG2TP53
SCHEMBL24139370 0.81 MAOB (0.48) MAOBCA1CA2ARG2TP53
SCHEMBL96316 0.81 MAOB (0.48) MAOBCA1CA2ARG2TP53
SCHEMBL7449621 0.81 MAOB (0.48) MAOBCA1CA2ARG2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
EP-0719258-B1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5786367-A OXYGEN SCAVENGERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed
EP-0719258-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed
WO-1996002508-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-02-01 WO disclosed
US-5312950-A Method for purification of alcohols EASTMAN KODAK COMPANY (US) 1994-05-17 US disclosed
US-4080388-A Phenyl substituted-hexene-(3)-diol-(1,6) STUDIENGESELLSCHAFT KOHLE MBH (DT) 1978-03-21 US disclosed
US-3954887-A PHENYL SUBSTITUTED UNSATURATED DIOLS STUDIENGESELLSCHAFT KOHLE M.B.H. (DT) 1976-05-04 US disclosed