SCHEMBL23817933

SCHEMBL23817933

CCC(=O)N(CCC#N)c1ccc2c(c1)OCCN2CC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FEM1B Q9UK73 3/20 0.48
▸ FNIP1 Q8TF40 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 2/20 0.38
▸ BRD4 O60885 2/20 0.38
▸ HTT P42858 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ ATM Q13315 1/20 0.33
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL23817965 0.92 FEM1B (0.59) FEM1BFNIP1ALDH1A1CYP1A2CYP3A4
SCHEMBL25455179 0.84 FEM1B (0.48) FEM1BFNIP1ALDH1A1CYP1A2CYP3A4
SCHEMBL23817939 0.82 FEM1B (0.52) FEM1BFNIP1ALDH1A1CYP1A2CYP3A4
SCHEMBL30132888 0.82 FEM1B (0.62) FEM1BFNIP1ALDH1A1CYP1A2CYP3A4
SCHEMBL23817980 0.82 FEM1B (0.62) FEM1BFNIP1ALDH1A1CYP1A2CYP3A4
SCHEMBL23818489 0.82 FNIP1 (0.49) FEM1BFNIP1ALDH1A1CYP1A2CYP3A4
SCHEMBL23804989 0.79 FEM1B (0.61) FEM1BFNIP1ALDH1A1CYP1A2CYP3A4
SCHEMBL30132890 0.79 FEM1B (0.61) FEM1BFNIP1ALDH1A1CYP1A2CYP3A4
SCHEMBL23804993 0.78 FEM1B (0.67) FEM1BFNIP1ALDH1A1CYP1A2CYP3A4
SCHEMBL25455734 0.77 FEM1B (0.60) FEM1BFNIP1ALDH1A1CYP1A2CYP3A4

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
WO-2021183431-A1 FEM1B PROTEIN BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-16 — — WO disclosed
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