SCHEMBL31240137

SCHEMBL31240137

CCOC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccc(Br)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.42
AAK1 Q2M2I8 9/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.39
CPB2 Q96IY4 1/20 0.37
BACE1 P56817 3/20 0.36
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FPR2 P25090 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
SCHEMBL3499937 1.00 GHSR (0.42) GHSRAAK1ALDH1A1MAPTCPB2
SCHEMBL29346209 0.88 GHSR (0.40) GHSRAAK1BACE1NPC1RECQL
SCHEMBL30758528 0.88 GHSR (0.40) GHSRAAK1BACE1NPC1RECQL
SCHEMBL26605089 0.84 GHSR (0.41) GHSRAAK1BACE1NPC1RECQL
SCHEMBL30663978 0.84 GHSR (0.41) GHSRAAK1BACE1NPC1RECQL
SCHEMBL31240165 0.84 GHSR (0.41) GHSRAAK1BACE1NPC1RECQL
SCHEMBL31542788 0.84 GHSR (0.41) GHSRAAK1BACE1NPC1RECQL
SCHEMBL31240113 0.84 GHSR (0.41) GHSRAAK1BACE1NPC1RECQL
SCHEMBL26401066 0.80 GHSR (0.46) GHSRAAK1ALDH1A1BACE1NPC1
SCHEMBL31542674 0.79 GHSR (0.39) GHSRAAK1BACE1NPC1RECQL

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-119053589-A Small molecule IL-17A modulators 百济神州有限公司 2024-11-29 CN disclosed