SCHEMBL4077129

SCHEMBL4077129

Cc1cc(NCCC(C)C)c2c(c1Nc1ccccc1)C1(OC2=O)c2ccccc2Oc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
BRCA1 P38398 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PSMB5 P28074 1/20 0.32
ELANE P08246 1/20 0.31

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
SCHEMBL548194 0.88 CYP2C9 (0.36) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL9565549 0.88 HPGD (0.38) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL339448 0.87 TLR8 (0.36) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL8377764 0.86 ALDH1A1 (0.34) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL6537056 0.84 HPGD (0.40) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL11003355 0.82 HPGD (0.39) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL9337785 0.82 ALDH1A1 (0.32) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL9845551 0.82 CHRM2 (0.35) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL4667092 0.81 CYP2C9 (0.39) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL395637 0.80 ALDH1A1 (0.35) ALDH1A1CYP2C9HPGDALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517397-B2 Heat sensitive recording material CIBA SPECIALTY CHEMICALS CORP. (US) 2009-04-14 US disclosed
US-20060240981-A1 Heat sensitive recording material CIBA SPECIALTY CHEMICALS CORP. 2006-10-26 US disclosed
EP-0646475-B1 Thermally-Sensitive record material WIGGINS TEAPE GROUP LTD (GB) 1996-03-06 EP disclosed
EP-0646475-A1 Thermally-Sensitive record material The Wiggins Teape Group Limited (GB) 1995-04-05 EP disclosed
EP-0546836-B1 Thermally - sensitive record material WIGGINS TEAPE GROUP LTD (GB) 1994-06-08 EP disclosed
EP-0546836-A1 Thermally - sensitive record material The Wiggins Teape Group Limited (GB) 1993-06-16 EP disclosed
WO-1992018336-A1 HEAT-SENSITIVE RECORDING MATERIAL WITH PIGMENTED PROTECTIVE LAYER RENKER GMBH & CO. KG (DE) 1992-10-29 WO disclosed