SCHEMBL9717360

SCHEMBL9717360

C=C(c1ccccc1O)c1ccccc1C(C)C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 6/20 0.36
HPGD P15428 6/20 0.36
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HMGB1 P09429 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MAPT P10636 5/20 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
SCHEMBL9717390 0.83 TSHR (0.33) GABRA1GABRB2TSHRALDH1A1MEN1
SCHEMBL9717389 0.83 ALDH1A1 (0.44) LMNAKDM4EHPGDALDH1A1HSD17B10
SCHEMBL9717366 0.82 LMNA (0.40) GABRA1LMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL9717423 0.81 KCNK3 (0.44) HPGDALDH1A1SMN1; SMN2CA12CA1
SCHEMBL9717372 0.80 LMNA (0.34) TSHRLMNAKDM4EHPGDALDH1A1
SCHEMBL9717379 0.80 KDM4E (0.45) TSHRLMNAKDM4EHPGDALDH1A1
SCHEMBL4378835 0.79 GABRA1 (0.58) GABRA1GABRB2TSHRLMNAKDM4E
SCHEMBL9717364 0.78 HCRTR1 (0.44) TSHRLMNAKDM4EHPGDALDH1A1
SCHEMBL9717374 0.78 NFE2L2 (0.40) LMNAKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL9715755 0.77 PTGS2 (0.44) GABRA1GABRB2TSHRLMNAKDM4E

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