SCHEMBL9717414

SCHEMBL9717414

C=C(c1ccccc1C(=O)OCC)c1ccccc1C(C)C=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.55
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 4/20 0.46
KDM4E B2RXH2 5/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CDC25B P30305 1/20 0.43
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ERN1 O75460 1/20 0.40
TP53 P04637 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL28972361 0.89 TSHR (0.61) TSHRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL9717379 0.86 KDM4E (0.45) TSHRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL9715744 0.83 TSHR (0.57) TSHRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL9717364 0.81 HCRTR1 (0.44) TSHRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL9717390 0.80 TSHR (0.33) TSHRALDH1A1
SCHEMBL9717389 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL9717407 0.76 KDM4E (0.41) TSHRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL9717423 0.76 KCNK3 (0.44) ALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL9717360 0.76 GABRA1 (0.40) TSHRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL9717372 0.75 LMNA (0.34) TSHRALDH1A1HSD17B10KDM4EHPGD

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-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
EP-0311689-A1 PROCESS FOR SELECTIVELY MONOHYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-04-19 EP disclosed