SCHEMBL20979997

SCHEMBL20979997

C/C=C(\C)CC/C=C/C(C)(C)CC(C)(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.37
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
APEX1 P27695 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL21702829 0.72 ACLY (0.42) ACLY
SCHEMBL19835942 0.69 ACLY (0.38) ACLYCYP2D6CYP2C19
SCHEMBL10063479 0.69 ACLY (0.38) ACLYCYP2D6CYP2C19
SCHEMBL4313555 0.66 ACLY (0.39) ACLYCYP2D6CYP2C19
SCHEMBL14080730 0.66 ACLY (0.39) ACLYCYP2D6CYP2C19
SCHEMBL12345507 0.66 ACLY (0.35) ACLYCYP2D6CYP2C19
SCHEMBL9242078 0.65
SCHEMBL9242080 0.65
SCHEMBL25854208 0.65
SCHEMBL797973 0.65 TSHR (0.47) ACLYCYP2D6CYP2C9CYP2C19KDM4E

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-10717914-B2 Performance non-emulsifiers that employ branched alcohols and a new high-solvency carrier oil HALLIBURTON ENERGY SERVICES, INC. (US) 2020-07-21 US disclosed
US-20190136113-A1 IMPROVED PERFORMANCE NON-EMULSIFIERS THAT EMPLOY BRANCHED ALCOHOLS AND A NEW HIGH-SOLVENCY CARRIER OIL HALLIBURTON ENERGY SERVICES, INC. (US) 2019-05-09 US disclosed