SCHEMBL1983176

SCHEMBL1983176

O=C(c1ccc(OC2CC2)cc1)C(O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.59
CES2 O00748 2/20 0.59
CES1 P23141 2/20 0.59
SRD5A1 P18405 1/20 0.53
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
EPHX2 P34913 4/20 0.47
FAAH O00519 1/20 0.47
PARP10 Q53GL7 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.42
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM4 P08173 1/20 0.41

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
SCHEMBL1983175 0.94 LMNA (0.59) LMNACES2CES1SRD5A1ALDH1A1
SCHEMBL8099892 0.81 GPR119 (0.54) SRD5A1KDM4E
SCHEMBL6836823 0.79 LMNA (0.69) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL29262742 0.78 LMNA (0.67) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL7007282 0.78 LMNA (0.67) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL812736 0.78 LMNA (0.67) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL10313059 0.77 ELANE (0.60) LMNASRD5A1ALDH1A1EPHX2FAAH
SCHEMBL10794860 0.76 LMNA (0.65) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL2025536 0.76 CES2 (1.00) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL901258 0.76 CES2 (1.00) LMNACES2CES1ALDH1A1KDM4E

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-2509981-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Eli Lilly and Company (US) 2012-10-17 EP disclosed
WO-2011071840-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE ELI LILLY AND COMPANY (US) 2011-06-16 WO disclosed