SCHEMBL11221682

SCHEMBL11221682

CCCCCCCCCCCCCCCCOc1cc(OC)c([N+](=O)[O-])cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
MAPT P10636 5/20 0.48
LMNA P02545 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
ESR1 P03372 1/20 0.46
PLA2G4B P0C869 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
PRKDC P78527 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMPD1 P17405 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP19A1 P11511 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
PRSS1 P07477 1/20 0.44

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
SCHEMBL11229570 0.95 THRA (0.50) THRATHRBMAPTLMNAALDH1A1
SCHEMBL2249192 0.88 ESR1 (0.52) THRATHRBMAPTLMNAALDH1A1
SCHEMBL6933094 0.88 ESR1 (0.52) THRATHRBMAPTLMNAALDH1A1
SCHEMBL9322138 0.86 THRA (0.54) THRATHRBMAPTLMNAALDH1A1
SCHEMBL22502160 0.86 MAPT (0.45) THRATHRBMAPTLMNAALDH1A1
SCHEMBL20631194 0.84 HTT (0.51) THRATHRBLMNAESR1PLA2G4B
SCHEMBL5903503 0.83 ALDH1A1 (0.71) THRATHRBMAPTLMNAALDH1A1
SCHEMBL26651124 0.83 HTT (0.53) THRATHRBMAPTLMNAESR1
SCHEMBL16067478 0.82 ALDH1A1 (0.69) THRATHRBMAPTLMNAALDH1A1
SCHEMBL10074635 0.82 HTT (0.52) THRATHRBMAPTLMNAESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001650-B1 ACYLACETANILIDE COMPOUNDS AND THEIR USE AS YELLOW FORMING COLOUR COUPLERS FOR SILVER HALIDE PHOTOGRAPHY AGFA-GEVAERT N.V. (BE) 1982-07-28 EP disclosed
US-4201584-A Silver halide elements containing yellow forming color couplers for silver halide photography AGFA-GEVAERT N.V. (BE) 1980-05-06 US disclosed
EP-0001650-A1 Acylacetanilide compounds and their use as yellow forming colour couplers for silver halide photography AGFA-GEVAERT N.V. (BE) 1979-05-02 EP disclosed