SCHEMBL31233151

SCHEMBL31233151

CC(C)Oc1cc(C(=O)O)ccc1C(=O)/C=C/c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 1/20 0.59
ABCG2 Q9UNQ0 4/20 0.55
CYSLTR2 Q9NS75 1/20 0.53
MAOB P27338 7/20 0.49
APP P05067 1/20 0.48
DHODH Q02127 1/20 0.48
MAOA P21397 3/20 0.48
CYP1B1 Q16678 1/20 0.47
CXCL12 P48061 1/20 0.46
CXCR4 P61073 1/20 0.46

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
SCHEMBL498791 1.00 CYSLTR1 (0.59) CYSLTR1ABCG2CYSLTR2MAOBAPP
SCHEMBL498936 0.86 MAPT (0.50) APP
SCHEMBL30383422 0.86 MAPT (0.50) APP
SCHEMBL499270 0.82 TTR (0.48) APP
SCHEMBL498877 0.80 MAPT (0.47) CYSLTR1ABCG2MAOBAPPMAOA
SCHEMBL498928 0.77 CYP1A1 (0.51) ABCG2MAOBDHODHMAOACYP1B1
SCHEMBL27747073 0.76 ALDH1A1 (0.56)
SCHEMBL13480847 0.76 MAOB (0.72) ABCG2MAOBMAOACYP1B1CXCL12
SCHEMBL25265340 0.74 CYSLTR1 (1.00) CYSLTR1ABCG2CYSLTR2MAOBAPP
SCHEMBL25197758 0.74 SRD5A2 (0.59) ABCG2MAOBAPPDHODHMAOA

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-2024233598-A1 COMPOSITIONS AND METHODS FOR TREATING BLEEDING AND BLEEDING DISORDERS YewSavin, Inc. (US) 2024-11-14 WO disclosed