SCHEMBL30967793

SCHEMBL30967793

CCOC(=O)CCc1cccc(NC)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.53
CYP4A11 Q02928 3/20 0.53
SYK P43405 5/20 0.49
MAPT P10636 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CYP4Z1 Q86W10 1/20 0.46
BRD4 O60885 1/20 0.45
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
P2RY12 Q9H244 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
ALDH1A1 P00352 1/20 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
SCHEMBL13865269 0.87 CYP4F2 (0.51) CYP4F2CYP4A11SYKMAPTSIRT2
SCHEMBL2082531 0.87 CYP4F2 (0.51) CYP4F2CYP4A11SYKMAPTSIRT2
SCHEMBL4425984 0.86 CYP4F2 (0.64) CYP4F2CYP4A11SYKTDP1CYP4Z1
SCHEMBL2083064 0.85 CYP4F2 (0.54) CYP4F2CYP4A11SYKCYP4Z1
SCHEMBL2636349 0.85 HTT (0.45) SYKMAPTCYP4Z1ALDH1A1
SCHEMBL16316705 0.85 CYP4F2 (0.49) CYP4F2CYP4A11SYKMAPTSIRT2
SCHEMBL8616029 0.82 SYK (0.50) CYP4F2CYP4A11SYKMAPTSIRT2
SCHEMBL879289 0.81 CYP4F2 (0.58) CYP4F2CYP4A11SYKTDP1CYP4Z1
SCHEMBL20642216 0.81 CYP4F2 (0.68) CYP4F2CYP4A11SYKMAPTTDP1
SCHEMBL13104077 0.81 CYP4F2 (0.58) CYP4F2CYP4A11SYKMAPTTDP1

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-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 CN disclosed