SCHEMBL31140846

SCHEMBL31140846

O=C1CCC(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ PDE9A O76083 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ FAAH O00519 1/20 0.38
▸ APAF1 O14727 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GPR119 Q8TDV5 2/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ NOTUM Q6P988 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ HCRTR1 O43613 1/20 0.34

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
SCHEMBL25228664 1.00 DDB1 (0.43) DDB1CRBNPDE9AKMT2AKDM4E
SCHEMBL16452781 0.86 KMT2A (0.42) DDB1CRBNPDE9AKMT2AKDM4E
SCHEMBL29852305 0.86 KMT2A (0.42) DDB1CRBNPDE9AKMT2AKDM4E
SCHEMBL16452775 0.83 PPARD (0.40) DDB1CRBNPDE9AKMT2AKDM4E
SCHEMBL28131310 0.83 ALOX5AP (0.43) DDB1CRBNPDE9AKMT2AKDM4E
SCHEMBL25647216 0.81 PPARD (0.42) DDB1CRBNPDE9AKMT2AKDM4E
SCHEMBL30851289 0.79 HTR2C (0.57) KMT2A
SCHEMBL13197446 0.79 LIPE (0.41) DDB1CRBNPDE9AKMT2AKDM4E
SCHEMBL5471696 0.79 HTR2C (0.57) KMT2A
SCHEMBL13197445 0.79 LIPE (0.41) DDB1CRBNPDE9AKMT2AKDM4E

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-118696050-A Spirocyclic cyclic modulators of cholesterol biosynthesis and their use for promoting remyelination 基因泰克公司 2024-09-24 — — CN disclosed
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