SCHEMBL8668489

SCHEMBL8668489

CCCCCCCCCCCCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.89
CYP2C9 P11712 2/20 0.89
LMNA P02545 2/20 0.89
TSHR P16473 2/20 0.89
ALB P02768 1/20 0.89
TDP1 Q9NUW8 1/20 0.89
FBP1 P09467 7/20 0.64
NPSR1 Q6W5P4 2/20 0.59
CYP3A4 P08684 1/20 0.59
THRB P10828 1/20 0.59
NFKB1 P19838 1/20 0.59
HTR2A P28223 1/20 0.59
CYP2C19 P33261 1/20 0.59
ADRA1A P35348 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
TBXA2R P21731 3/20 0.56

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
SCHEMBL29787228 1.00 ALDH1A1 (0.89) ALDH1A1CYP2C9LMNATSHRALB
SCHEMBL23876511 1.00 ALDH1A1 (0.89) ALDH1A1CYP2C9LMNATSHRALB
SCHEMBL5931121 1.00 ALDH1A1 (0.89) ALDH1A1CYP2C9LMNATSHRALB
SCHEMBL8668492 1.00 ALDH1A1 (0.89) ALDH1A1CYP2C9LMNATSHRALB
SCHEMBL8672470 0.99 ALDH1A1 (0.91) ALDH1A1CYP2C9LMNATSHRALB
Tolbutamide SCHEMBL15918 0.94 ALDH1A1 (1.00) ALDH1A1CYP2C9LMNATSHRALB
Tolbutamide SCHEMBL1536920 0.94 ALDH1A1 (1.00) ALDH1A1CYP2C9LMNATSHRALB
Tolbutamide SCHEMBL7551276 0.93 ALDH1A1 (0.97) ALDH1A1CYP2C9LMNATSHRALB
Tolbutamide SCHEMBL11357518 0.93 ALDH1A1 (0.97) ALDH1A1CYP2C9LMNATSHRALB
Tolbutamide SCHEMBL140363 0.93 ALDH1A1 (0.97) ALDH1A1CYP2C9LMNATSHRALB

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-0701905-B1 Thermosensitive reversible colordeveloping and disappearing agent OJI PAPER CO (JP) 1998-12-23 EP disclosed
US-5702850-A COMPRISES A COLOR-DEVELOPING AROMATIC COMPOUND REACTIVE WITH A COLORLESS DYE PRECURSOR OF RECORDING MATERIAL TO DEVELOP COLOR ON HEATING AND TO MAKE COLOR DISAPPEAR UPON HEATING AT LOWER TERMPERATURE THAN PREVIOUS COLOR DEVELOPING TEMPERATURE NEW OJI PAPER CO., LTD. (JP) 1997-12-30 US disclosed
EP-0701905-A1 Thermosensitive reversible colordeveloping and disappearing agent NEW OJI PAPER CO., LTD. (JP) 1996-03-20 EP disclosed