SCHEMBL9002377

SCHEMBL9002377

Nc1ccc(OCC(O)CCl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.55
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
CYP1A2 P05177 1/20 0.46
MAPT P10636 4/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 1/20 0.43
APP P05067 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.42
KMT2A Q03164 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL7090393 0.90 AR (0.64) ARCYP1A2MAPTHTTSMN1; SMN2
SCHEMBL7934862 0.88 MAPT (0.55) ADRB2ADRB1ADRB3CYP1A2MAPT
SCHEMBL7088414 0.84 AR (0.58) ARCYP1A2MAPTHTTSMN1; SMN2
SCHEMBL12517404 0.84 AR (0.58) ARCYP1A2MAPTHTTSMN1; SMN2
SCHEMBL11566950 0.82 MAPT (0.50) ADRB2ADRB1ADRB3CYP1A2MAPT
SCHEMBL1496562 0.82 CYP1A2 (0.60) ARCYP1A2MAPTHTTSMN1; SMN2
SCHEMBL11256374 0.82 PTGS1 (0.57) ARADRB2ADRB1ADRB3CYP1A2
SCHEMBL11256369 0.82 PTGS1 (0.57) ARADRB2ADRB1ADRB3CYP1A2
SCHEMBL656178 0.82 AR (0.53) ARADRB2ADRB1ADRB3CYP1A2
SCHEMBL30164554 0.81 KMT2A (0.57) ARCYP1A2MAPTHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5541299-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-07-30 US disclosed
US-5502171-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
EP-0042556-B1 PROCESS FOR THE MANUFACTURE OF ALKYLHYDRAZONE CATIONIC DYES AND THEIR DYESTUFF BASES BAYER AG (DE) 1984-02-08 EP disclosed
US-4376728-A Process for the preparation of cationic alkylarylhydrazone dyestuffs and color bases thereof BAYER AKTIENGESELLSCHAFT (DE) 1983-03-15 US disclosed
US-4179435-A SULPHONIC ACID-FREE CIBA-GEIGY CORPORATION (US) 1979-12-18 US disclosed
US-4083688-A DISPERSE DYES CIBA-GEIGY AG (CH) 1978-04-11 US disclosed
US-4039529-A Cycloaliphatic dicarbonyl containing azo dyestuffs CIBA-GEIGY AG (CH) 1977-08-02 US disclosed
US-3971771-A DYES FOR POLYESTERS CIBA-GEIGY AG (CH) 1976-07-27 US disclosed
US-3954398-A Polyester fibers dyed with a disazo disperse dyestuff CIBA-GEIGY AG (CH) 1976-05-04 US disclosed
US-3933786-A Heterocyclic-azo-phenyl compounds containing a styrl group CIBA-GEIGY AG (CH) 1976-01-20 US disclosed