SCHEMBL9717407

SCHEMBL9717407

C=C(c1ccccc1C(C)C=O)c1cccc(C(=O)OC)c1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ATM Q13315 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 3/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CFTR P13569 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
CA5A P35218 1/20 0.35

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
SCHEMBL9717379 0.89 KDM4E (0.45) KDM4EATMPOLBKMT2AGAA
SCHEMBL9715751 0.83 PTGS1 (0.42) KDM4EATMPOLBKMT2AGAA
SCHEMBL9717389 0.77 ALDH1A1 (0.44) KDM4EATMKMT2AGAALMNA
SCHEMBL9717414 0.76 TSHR (0.55) KDM4ETSHRLMNAALDH1A1HSD17B10
SCHEMBL9717423 0.76 KCNK3 (0.44) KMT2AALDH1A1CA1CA2CA9
SCHEMBL9717360 0.76 GABRA1 (0.40) KDM4EKMT2AGAATSHRLMNA
SCHEMBL9715761 0.75 TSHR (0.44) KDM4EATMPOLBKMT2ATSHR
SCHEMBL9717372 0.75 LMNA (0.34) KDM4EATMKMT2ATSHRLMNA
SCHEMBL9717398 0.75 KMT2A (0.47) KDM4EPOLBKMT2AGAALMNA
SCHEMBL9717390 0.75 TSHR (0.33) KMT2ATSHRALDH1A1HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311689-B1 PROCESS FOR SELECTIVELY MONOHYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-06-10 EP disclosed
US-4982007-A CARBONYLATION CATALYST NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-01-01 US disclosed