SCHEMBL11066699

SCHEMBL11066699

CC(C)=CCC(C)(C(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP2C19 P33261 2/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
ADRB2 P07550 1/20 0.40
CYP1A2 P05177 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL14850480 0.80 ALDH1A1 (0.62) TSHRALDH1A1KMT2AMEN1CYP2C19
SCHEMBL2927687 0.80 ALDH1A1 (0.62) TSHRALDH1A1KMT2AMEN1CYP2C19
SCHEMBL3998923 0.79 ALDH1A1 (0.49) TSHRALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL4002343 0.79 ALDH1A1 (0.43) TSHRALDH1A1KMT2ACYP2C19HIF1A
SCHEMBL4002340 0.79 ALDH1A1 (0.43) TSHRALDH1A1KMT2ACYP2C19HIF1A
SCHEMBL4001984 0.79 ALDH1A1 (0.43) TSHRALDH1A1KMT2AL3MBTL1CYP2C19
SCHEMBL4001990 0.79 ALDH1A1 (0.43) TSHRALDH1A1KMT2AL3MBTL1CYP2C19
SCHEMBL7834770 0.77 ALDH1A1 (0.46) TSHRALDH1A1KMT2AMEN1CYP2C19
SCHEMBL16213089 0.77 ALDH1A1 (0.46) TSHRALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7650879 0.75 ALDH1A1 (0.45) TSHRALDH1A1KMT2AMEN1L3MBTL1

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 3 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
EP-0074008-A2 Process for producing alpha-arylalkanoic acid esters TAISHO PHARMACEUTICAL CO. LTD (JP) 1983-03-16 EP disclosed