SCHEMBL9715759

SCHEMBL9715759

C=C(c1ccccc1C(=O)OC)c1ccccc1C(C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CFTR P13569 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ATM Q13315 2/20 0.42
POLB P06746 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
GAA P10253 1/20 0.42
CXCL8 P10145 1/20 0.40
HPGD P15428 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 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
SCHEMBL2439694 0.89 TSHR (0.52) TSHRLMNAALDH1A1CFTRHSD17B10
SCHEMBL9715751 0.89 PTGS1 (0.42) TSHRLMNAALDH1A1CFTRHSD17B10
SCHEMBL9715744 0.86 TSHR (0.57) TSHRALDH1A1HSD17B10PTGS1PTGS2
SCHEMBL9715714 0.86 ALDH1A1 (0.47) ALDH1A1HSD17B10MAPTALOX15PTGS1
SCHEMBL9715754 0.82 PTGS1 (0.52) ALDH1A1HSD17B10PTGS1PTGS2KDM4E
SCHEMBL9715755 0.81 PTGS2 (0.44) TSHRLMNAALDH1A1HSD17B10MAPT
SCHEMBL9632497 0.81 PTGS2 (0.47) LMNAALDH1A1HSD17B10MAPTPTGS1
SCHEMBL9717379 0.81 KDM4E (0.45) TSHRLMNAALDH1A1CFTRHSD17B10
SCHEMBL9715718 0.80 CXCL8 (0.41) ALDH1A1PTGS1PTGS2POLBCXCL8
SCHEMBL9715715 0.78 HCRTR1 (0.48) LMNAALDH1A1MAPTPTGS1PTGS2

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-0304495-B1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-05-27 EP disclosed
US-4908473-A Reacting a (1-arylethenyl)vinylbenzene with carbon monoxide and water or alcohol in the presence of carbonylation catalyst NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-03-13 US disclosed
EP-0304495-A1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-03-01 EP disclosed