SCHEMBL8397453

SCHEMBL8397453

Cc1ccc(C(O)P(=O)(O)O)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM8 O00222 10/20 0.60
▸ GRM4 Q14833 10/20 0.60
▸ GRM6 O15303 8/20 0.60
▸ PTPRC P08575 1/20 0.48
▸ TSHR P16473 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ PGK1 P00558 1/20 0.47
▸ PGK2 P07205 1/20 0.47
▸ SRC P12931 1/20 0.44
▸ GRM7 Q14831 2/20 0.43
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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) GRM8GRM4GRM6PTPRCTSHR
SCHEMBL8395379 0.81 GRM8 (0.60) GRM8GRM4GRM6PTPRCPGK1
SCHEMBL8398394 0.81 GRM8 (0.63) GRM8GRM4GRM6PTPRCTSHR
SCHEMBL4434685 0.80 ALDH1A1 (0.53) GRM8GRM4GRM6TSHRALDH1A1
SCHEMBL11087405 0.78 PGK1 (0.59) GRM8GRM4GRM6PTPRCPGK1
SCHEMBL2756243 0.78 GRM8 (0.53) GRM8GRM4GRM6TSHRALDH1A1
SCHEMBL13774889 0.76 GRM8 (1.00) GRM8GRM4GRM6GRM7
SCHEMBL2436243 0.76 TSHR (0.56) GRM8GRM4GRM6TSHRALDH1A1
SCHEMBL12348008 0.76 GRM8 (0.49) GRM8GRM4GRM6TSHRALDH1A1
SCHEMBL14997909 0.75 GRM8 (0.48) GRM8GRM4GRM6TSHRALDH1A1

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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