SCHEMBL31375741

SCHEMBL31375741

C=CC(Cc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 11/20 0.50
TGM2 P21980 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
FPR2 P25090 2/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3961925 0.83 CYP1A2 (0.55) MME
SCHEMBL2928010 0.83 CYP1A2 (0.55) MME
SCHEMBL31375737 0.82 PPARG (0.50) PPARGPPARA
SCHEMBL31375797 0.82 CPA1 (0.47) MMEPPARGPPARAKMT2A
SCHEMBL4088287 0.82 PPARG (0.44) PPARGPPARAKMT2A
Hydrochloric Acid SCHEMBL9514047 0.81 CYP1A2 (0.53) MME
Acetic Acid SCHEMBL27384315 0.79 ALPI (0.52) MMEMEN1NPC1RAB9AKMT2A
SCHEMBL21895776 0.77 PTGS2 (0.46)
SCHEMBL27205 0.77 LDHA (0.57) MMEPPARGPPARAFPR2
SCHEMBL14019695 0.74 HPGD (0.40) PPARG

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-119219557-A Preparation method of beta, gamma-unsaturated nitrile compound 苏州大学 2024-12-31 CN disclosed