SCHEMBL9516348

SCHEMBL9516348

CCCCCCCCCCCCCc1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.41
GPR84 Q9NQS5 2/20 0.41
HPGD P15428 2/20 0.40
PTGS2 P35354 2/20 0.40
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
DAO P14920 1/20 0.39
FAAH O00519 1/20 0.39
KAT8 Q9H7Z6 2/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL14932711 0.98 MEN1 (0.45) MEN1KMT2AALDH1A1GPR84HPGD
SCHEMBL9148963 0.81 DAO (0.54) MEN1KMT2AALDH1A1GPR84PTGS2
SCHEMBL9050786 0.81 DAO (0.54) MEN1KMT2AALDH1A1GPR84PTGS2
SCHEMBL8390700 0.81 DAO (0.54) MEN1KMT2AALDH1A1GPR84PTGS2
SCHEMBL5858576 0.80 DAO (0.55) MEN1KMT2AALDH1A1GPR84PTGS2
SCHEMBL9151583 0.78 BAZ2B (0.51) MEN1KMT2AALDH1A1GPR84PTGS2
SCHEMBL9147935 0.78 BAZ2B (0.51) MEN1KMT2AALDH1A1GPR84PTGS2
SCHEMBL9154517 0.78 BAZ2B (0.51) MEN1KMT2AALDH1A1GPR84PTGS2
SCHEMBL9196174 0.78 KDM4E (0.48) ALDH1A1GPR84PTGS2THRATHRB
SCHEMBL9151658 0.77 PPARA (0.44) GPR84PTGS2FAAHPPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5017436-A None JP disclosed
JP-H0517436-A ACYLPYRROLE DERIVATIVE AND ITS PRODUCTION MITSUBISHI KASEI CORP 1993-01-26 JP disclosed