SCHEMBL11066693

SCHEMBL11066693

CC(C)=CCc1ccccc1C(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.42
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
HIF1A Q16665 2/20 0.40
APAF1 O14727 1/20 0.40
TDP2 O95551 1/20 0.40
NSD2 O96028 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40
GALK1 P51570 1/20 0.40
BLM P54132 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL11102355 0.83 KDM4E (0.41) PTGS2MAPTKDM4EMEN1KMT2A
SCHEMBL7167286 0.82 PTGS2 (0.46) PTGS2KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL11067906 0.82 TSHR (0.39) MAPTKDM4EMEN1KMT2ACYP1A2
SCHEMBL5983552 0.79 PTGS2 (0.46) PTGS2MAPTKDM4EPOLBHTT
SCHEMBL5112475 0.79 PTGS2 (0.46) PTGS2MAPTKDM4EPOLBHTT
SCHEMBL30222272 0.79 PTGS2 (0.46) PTGS2MAPTKDM4EPOLBHTT
SCHEMBL27081480 0.79 XPO1 (0.40) MAPTKDM4EMEN1KMT2ACYP1A2
SCHEMBL7822153 0.78 PTGS2 (0.44) PTGS2MAPTMEN1KMT2ACYP1A2
SCHEMBL1063487 0.78 PTGS2 (0.44) PTGS2MAPTKDM4EKMT2ACYP2C9
SCHEMBL3026634 0.76 PTGS2 (0.43) PTGS2MAPTKDM4EKMT2AHIF1A

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
EP-0074008-B1 PROCESS FOR PRODUCING ALPHA-ARYLALKANOIC ACID ESTERS TAISHO PHARMACEUTICAL CO. LTD (JP) 1984-10-10 EP disclosed
US-4433160-A Process for producing α-arylalkanoic acid ester TAISHO PHARMACEUTICAL COMPANY, LTD. (JP) 1984-02-21 US disclosed
US-4420631-A ANTIINFLAMMATORY AGENTS, ANALGESICS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1983-12-13 US disclosed
EP-0074008-A2 Process for producing alpha-arylalkanoic acid esters TAISHO PHARMACEUTICAL CO. LTD (JP) 1983-03-16 EP disclosed