SCHEMBL11405707

SCHEMBL11405707

ONc1ccc(Cl)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ HSP90AA1 P07900 5/20 0.49
▸ ERBB2 P04626 1/20 0.49
▸ HSP90AB1 P08238 1/20 0.49
▸ CXCR2 P25025 2/20 0.46
▸ HPGD P15428 4/20 0.43
▸ ALOX15 P16050 3/20 0.43
▸ ALOX12 P18054 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 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
SCHEMBL29896184 1.00 HSD17B10 (0.52) HSD17B10ALDH1A1CYP3A4TSHRTDP1
SCHEMBL11007856 0.79 ALDH1A1 (0.53) HSD17B10ALDH1A1CYP3A4TSHRTDP1
SCHEMBL29291588 0.79 ALDH1A1 (0.50) HSD17B10ALDH1A1CYP3A4TSHRTDP1
SCHEMBL11045353 0.78 ALDH1A1 (0.50) HSD17B10ALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL6757211 0.75 CXCR1 (0.43) HSD17B10ALDH1A1CYP3A4TSHRHPGD
SCHEMBL11408277 0.74 NOX1 (0.58) ALDH1A1TDP1SMN1; SMN2MAPK1MEN1
SCHEMBL11411559 0.74 KMT2A (0.51) ALDH1A1TDP1HPGDSMN1; SMN2MEN1
SCHEMBL1851955 0.74 CXCR2 (0.57) HSD17B10ALDH1A1CYP3A4TSHRTDP1
SCHEMBL9109201 0.73 MEN1 (0.55) HSD17B10ALDH1A1CYP3A4TSHRTDP1
SCHEMBL30531906 0.73 MEN1 (0.55) HSD17B10ALDH1A1CYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4224340-A Anti-inflammatory compositions containing α-phenyl-N-phenylnitrone compounds WILLIAM H. RORER, INC. (US) 1980-09-23 — — US disclosed
US-4214003-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1980-07-22 — — US disclosed
US-4197314-A WITH A DIPHENYL NITRONE WILLIAM H. RORER, INC. (US) 1980-04-08 — — US disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 — — US disclosed
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