SCHEMBL28650587

SCHEMBL28650587

CC(C)CC(C(=O)OC1CCCCC1)(C(=O)OC1CCCCC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
CHRM3 P20309 10/20 0.46
CHRM2 P08172 7/20 0.45
LMNA P02545 2/20 0.45
CYP2D6 P10635 2/20 0.45
KCNH2 Q12809 2/20 0.45
CYP2C19 P33261 1/20 0.45
SLC6A4 P31645 1/20 0.45
CHRM1 P11229 1/20 0.44
HRH1 P35367 1/20 0.44
SLC22A1 O15245 1/20 0.44

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
SCHEMBL28658366 0.87 CYP19A1 (0.47) CYP19A1CHRM3CHRM2LMNACYP2D6
SCHEMBL31147066 0.85 CYP19A1 (0.52) CYP19A1CHRM3CHRM2LMNACYP2D6
SCHEMBL31147043 0.82 CYP19A1 (0.50) CYP19A1CHRM3CHRM2LMNACYP2D6
SCHEMBL28570731 0.79 CYP19A1 (0.41) CYP19A1CHRM3CHRM2LMNACYP2D6
SCHEMBL31147060 0.77 CYP19A1 (0.56) CYP19A1CHRM3CHRM2LMNACYP2D6
SCHEMBL28564938 0.77 CYP19A1 (0.38) CYP19A1CHRM3
SCHEMBL16732258 0.76 KCNN4 (0.55) CHRM3CHRM2CYP2D6KCNH2CYP2C19
SCHEMBL28553376 0.76 CYP19A1 (0.51) CYP19A1CHRM3CHRM2LMNACYP2D6
SCHEMBL1610847 0.76 CYP19A1 (0.55) CYP19A1CHRM3CHRM2LMNACYP2D6
SCHEMBL16732334 0.75 TSHR (0.45) CHRM3CHRM2CYP2D6KCNH2CHRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109678997-B Catalyst component and catalyst for olefin polymerization, prepolymerized catalyst and olefin polymerization method 中国石油化工股份有限公司 2021-11-19 CN disclosed