SCHEMBL14367479

SCHEMBL14367479

Cc1ccc(S(=O)(=O)N2CC[N+]([O-])(Cc3cc(CC(=O)O)ccc3OCc3ccc(Cl)cc3Cl)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.42
PTGDR2 Q9Y5Y4 7/20 0.42
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
PTGER1 P34995 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
PKM P14618 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
SCHEMBL3933952 0.86 PTGDR2 (0.58) KMT2ASMN1; SMN2PTGDR2GAAALDH1A1
SCHEMBL3936575 0.81 KMT2A (0.49) KMT2ASMN1; SMN2MEN1PTGDR2CRHBP
SCHEMBL3937820 0.78 PTGDR2 (0.58) KMT2ASMN1; SMN2MEN1PTGDR2GAA
SCHEMBL3931978 0.75 MEN1 (0.54) KMT2ASMN1; SMN2MEN1PTGDR2ALDH1A1
SCHEMBL3937365 0.74 PTGDR2 (0.53) KMT2ASMN1; SMN2MEN1PTGDR2CRHBP
SCHEMBL3937915 0.73 ALDH1A1 (0.51) KMT2ASMN1; SMN2MEN1PTGDR2GAA
SCHEMBL3929086 0.73 KMT2A (0.55) KMT2ASMN1; SMN2MEN1GAAALDH1A1
SCHEMBL3928788 0.73 PTGDR2 (0.63) SMN1; SMN2PTGDR2ALDH1A1
SCHEMBL3932364 0.73 PTGDR2 (0.55) KMT2ASMN1; SMN2MEN1PTGDR2GAA
SCHEMBL4151340 0.71 FFAR1 (0.49) S1PR1S1PR5PTGER1

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-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 WO disclosed