SCHEMBL10947750

SCHEMBL10947750

Cc1cc(C(C)C(=O)O)c(O)cc1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ TSPO P30536 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NR3C1 P04150 3/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ BCL2L1 Q07817 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ HSD17B2 P37059 1/20 0.36

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
Benzamide SCHEMBL10949386 0.92 PTGS1 (0.43) HSP90AA1PTGS1PTGS2TRPM8TSPO
SCHEMBL10949391 0.91 PTGS1 (0.43) HSP90AA1PTGS1PTGS2KMT2AMEN1
SCHEMBL10950761 0.89 HSP90AA1 (0.42) HSP90AA1TSPOKMT2AMEN1NR3C1
SCHEMBL11062225 0.86 ERCC1 (0.46) HSP90AA1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL11041424 0.83 HSP90AA1 (0.40) HSP90AA1TRPM8TSPOKMT2AMEN1
SCHEMBL21963902 0.73 TSPO (0.49) TRPM8TSPOKMT2ANR3C1CRHBP
SCHEMBL11168235 0.72 TSHR (0.43) HSP90AA1KMT2AMEN1LMNAHPGD
SCHEMBL10780367 0.71 CYP2C19 (0.40) TRPM8TSPONR3C1ALDH1A1L3MBTL1
SCHEMBL7002879 0.69 CYP2C19 (0.49) TRPM8TSPONR3C1CRHBPCRHR2
SCHEMBL22014036 0.69 NR3C1 (0.48) TRPM8TSPOKMT2AMEN1NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0082109-A2 Substituted 2-hydroxyphenylacetic acids and derivatives of them CIBA-GEIGY AG (CH) 1983-06-22 — — EP claimed
US-4514415-A ANALGESICS CIBA GEIGY CORPORATION (US) 1985-04-30 — — US disclosed
US-4451462-A Method of treating inflammation and pain using heteramino benzofurans CIBA-GEIGY CORPORATION (US) 1984-05-29 — — US disclosed
EP-0107620-A1 Phenol derivatives CIBA-GEIGY AG (CH) 1984-05-02 — — EP disclosed
US-4426380-A ANTIINFLAMMATORY, ANALGESIC, SUNSCREEN CIBA-GEIGY CORPORATION (US) 1984-01-17 — — US disclosed
EP-0082109-A2 Substituted 2-hydroxyphenylacetic acids and derivatives of them CIBA-GEIGY AG (CH) 1983-06-22 — — EP disclosed
EP-0078240-A2 Lactones CIBA-GEIGY AG (CH) 1983-05-04 — — EP disclosed
EP-0078241-A2 Furanes CIBA-GEIGY AG (CH) 1983-05-04 — — EP disclosed
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