SCHEMBL8041172

SCHEMBL8041172

CC(=O)N(c1ccc(Oc2ccccc2OC2CCCCCCC2)cc1)c1ccccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 3/20 0.40
▸ PTPN1 P18031 1/20 0.38
▸ LPAR1 Q92633 3/20 0.38
▸ LPAR5 Q9H1C0 2/20 0.38
▸ ADRB1 P08588 2/20 0.37
▸ ADRB3 P13945 2/20 0.37
▸ SCN1A P35498 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ SCN3A Q9NY46 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ LPAR3 Q9UBY5 1/20 0.36
▸ STAT3 P40763 1/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ PDE4A P27815 1/20 0.35

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
SCHEMBL8039708 0.90 PTPN1 (0.40) PTPN1STAT3ABCC1MAOB
SCHEMBL8038304 0.90 PTPN1 (0.40) PTPN1STAT3ABCC1MAOB
SCHEMBL6405116 0.90 PTPN1 (0.40) PTPN1STAT3ABCC1MAOB
SCHEMBL8039546 0.90 PTPN1 (0.40) PTPN1STAT3ABCC1MAOB
SCHEMBL8037916 0.90 TSPO (0.44) TSPOSCN1ASCN2ASCN3A
SCHEMBL8039689 0.89 PTPN1 (0.38) PTPN1STAT3ABCC1MAOB
SCHEMBL8038293 0.80 TSPO (0.39) TSPO
SCHEMBL8037926 0.80 TSPO (0.39) TSPO
SCHEMBL6406664 0.80 TSPO (0.39) TSPO
SCHEMBL8038290 0.79 PARP10 (0.44) PTPN1

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
EP-0806412-B1 BENZENE DERIVATIVES TEIJIN LTD (JP) 2000-04-05 — — EP disclosed
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