SCHEMBL9717372

SCHEMBL9717372

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TRPA1 O75762 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
AKR1B10 O60218 1/20 0.34
ABCB11 O95342 1/20 0.34
DHFR P00374 1/20 0.34
MPO P05164 1/20 0.34
CHRM1 P11229 1/20 0.34
AKR1B1 P15121 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL10601528 0.84 GABRA1 (0.41) LMNATDP1MEN1KMT2ATRPA1
SCHEMBL9717360 0.80 GABRA1 (0.40) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL9717374 0.80 NFE2L2 (0.40) LMNATDP1MEN1KMT2ANPC1
SCHEMBL9715765 0.79 PTGS2 (0.40) LMNATDP1MEN1KMT2ATRPA1
SCHEMBL9717390 0.79 TSHR (0.33) MEN1KMT2ACYP2C9TSHRHTT
SCHEMBL9717389 0.79 ALDH1A1 (0.44) LMNATDP1KMT2ACYP3A4CYP2C9
SCHEMBL9717366 0.78 LMNA (0.40) LMNATDP1MEN1KMT2AAKR1C3
SCHEMBL9717423 0.78 KCNK3 (0.44) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL29456687 0.77 TSHR (0.42) LMNATRPA1CYP1A2CYP3A4CYP2C9
SCHEMBL1324773 0.77 TSHR (0.42) LMNATRPA1CYP1A2CYP3A4CYP2C9

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