SCHEMBL24424135

SCHEMBL24424135

COc1cc(-c2cc(C(=O)N3CCCCC34CCC4)n[nH]2)c(Cl)cn1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ ACACB O00763 1/20 0.32
▸ DGAT2 Q96PD7 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SCD O00767 1/20 0.31
▸ SCD5 Q86SK9 1/20 0.31
▸ MC4R P32245 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GPR183 P32249 1/20 0.30
▸ SMO Q99835 1/20 0.30
▸ MGLL Q99685 1/20 0.30
▸ KDM5A P29375 1/20 0.30

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
SCHEMBL29586649 0.98 JAK3 (0.33) JAK3CNR2ACACBDGAT2NPC1
SCHEMBL24423119 0.86 FFAR4 (0.37) CNR2ACACBSCDSCD5MC4R
SCHEMBL29585889 0.86 FFAR4 (0.37) CNR2ACACBSCDSCD5MC4R
SCHEMBL24424425 0.84 NPC1 (0.42) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL24423900 0.82 SMO (0.34) SMO
SCHEMBL29585529 0.82 SMO (0.34) SMO
SCHEMBL24424639 0.79 ACACB (0.37) ACACBDGAT2NPC1RAB9ASCD5
SCHEMBL30630552 0.78 ACACB (0.36) ACACBMC4RMEN1ALDH1A1LMNA
SCHEMBL24424352 0.78 ACACB (0.36) ACACBMC4RMEN1ALDH1A1LMNA
SCHEMBL24423448 0.77 MGLL (0.33) NPC1RAB9AALDH1A1SMOMGLL

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-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 — — WO disclosed
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