SCHEMBL11236201

SCHEMBL11236201

CCCCCON=C(C(N)=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
CYP2C19 P33261 1/20 0.47
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
PPARA Q07869 3/20 0.46
LMNA P02545 3/20 0.44
CYP3A4 P08684 2/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PPARG P37231 2/20 0.44
TBXA2R P21731 4/20 0.43
TSHR P16473 2/20 0.43

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
SCHEMBL11241570 0.99 CES2 (0.48) GAACYP2C19CES2CES1PPARA
SCHEMBL11228215 0.95 GAA (0.49) GAACYP2C19CES2CES1PPARA
SCHEMBL22758100 0.89 CYP2C19 (0.51) GAACYP2C19CES2CES1PPARA
SCHEMBL11243831 0.89 CYP2C19 (0.51) GAACYP2C19CES2CES1PPARA
SCHEMBL11236197 0.85 CES2 (0.46) CES2CES1PPARALMNACYP3A4
SCHEMBL11236194 0.85 CES2 (0.46) CES2CES1PPARALMNACYP3A4
SCHEMBL11241569 0.84 CES2 (0.48) CES2CES1PPARALMNAPPARG
SCHEMBL11241565 0.84 CES2 (0.48) CES2CES1PPARALMNAPPARG
SCHEMBL8448451 0.83 GAA (0.55) GAACYP2C19CES2CES1LMNA
SCHEMBL8448454 0.83 GAA (0.55) GAACYP2C19CES2CES1LMNA

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
US-4342760-A ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1982-08-03 US disclosed
US-4264597-A FUNGICIDES FUJISAWA PHARMACEUTICAL CO., LTD., NO. 3, 4-CHOME, DOSHOMACHI, HIGASHI-KU, OSAKA, JAPAN 1981-04-28 US disclosed