SCHEMBL8395379

SCHEMBL8395379

O=[N+]([O-])c1cc(C(O)P(=O)(O)O)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM8 O00222 6/20 0.60
▸ GRM6 O15303 6/20 0.60
▸ GRM4 Q14833 6/20 0.60
▸ PTPRC P08575 1/20 0.51
▸ VCAM1 P19320 6/20 0.49
▸ PGK1 P00558 1/20 0.47
▸ PGK2 P07205 1/20 0.47
▸ SRC P12931 1/20 0.44
▸ PTPN5 P54829 2/20 0.44
▸ GRM7 Q14831 2/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL8398444 0.83 GRM4 (0.60) GRM8GRM6GRM4PTPRCPGK1
SCHEMBL8397453 0.81 GRM8 (0.60) GRM8GRM6GRM4PTPRCPGK1
SCHEMBL10422678 0.79 VCAM1 (0.53) GRM8GRM6GRM4VCAM1MAPT
SCHEMBL9523948 0.79 EPAS1 (0.53) GRM8GRM6GRM4VCAM1MAPT
SCHEMBL8396055 0.78 FFAR1 (0.61) GRM8GRM6GRM4PTPRCPTPN5
(3,4-Dichlorophenyl)(Hydroxy)Methylphosphonic Acid SCHEMBL11292374 0.78 PTPN5 (0.63) PGK1PGK2PTPN5
SCHEMBL8398394 0.78 GRM8 (0.63) GRM8GRM6GRM4PTPRCGRM7
SCHEMBL1987819 0.78 GRM8 (0.53) GRM8GRM6GRM4VCAM1MAPT
SCHEMBL241620 0.78 GRM8 (0.53) GRM8GRM6GRM4VCAM1MAPT
SCHEMBL12727085 0.78 GRM8 (0.53) GRM8GRM6GRM4VCAM1MAPT

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
US-5994563-A THIOPHENE DERIVATIVES, IMMUNOSUPPRESSANTS ORTHO PHARMACEUTICAL CORPORATION (US) 1999-11-30 — — US disclosed
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