SCHEMBL24317642

SCHEMBL24317642

COC(=O)CCC(C(=O)OC)N1c2cccc3c(Br)ccc(c23)C1S

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.33
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL29531869 0.76 CYP1B1 (0.41) ALDH1A1POLB
SCHEMBL24317634 0.76 CYP1B1 (0.41) ALDH1A1POLB
SCHEMBL24329218 0.76 SLC22A12 (0.35) SLC22A12ALOX5ALDH1A1POLB
SCHEMBL29583096 0.76 SLC22A12 (0.35) SLC22A12ALOX5ALDH1A1POLB
SCHEMBL27671105 0.70 LMNA (0.37) ALOX5ALDH1A1POLBCA12CA1
SCHEMBL12196093 0.64 ALOX5 (0.42) ALOX5ALDH1A1POLBCYP1A2CYP2C19
SCHEMBL30839691 0.64 NPC1 (0.32) SLC22A12ALOX5ALDH1A1POLB
SCHEMBL21706214 0.62 NOTUM (0.38) POLB
SCHEMBL22927604 0.62 NOTUM (0.38) POLB
SCHEMBL28942747 0.61 KCNA5 (0.37) ALDH1A1

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-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed