SCHEMBL14119910

SCHEMBL14119910

CCCCCCC1CC(=O)OC(=O)C1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.62
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
PPARG P37231 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
EPHX1 P07099 1/20 0.39
PRKCA P17252 6/20 0.38
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HLCS P50747 1/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL2220339 1.00 CYP1A2 (0.62) CYP1A2ALDH1A1TSHRPPARGL3MBTL1
SCHEMBL4072508 0.98 CYP1A2 (0.65) CYP1A2ALDH1A1TSHRPPARGL3MBTL1
SCHEMBL3688744 0.92 CYP1A2 (0.56) CYP1A2ALDH1A1TSHRPPARGPRKCA
SCHEMBL442643 0.83 CYP1A2 (0.46) CYP1A2ALDH1A1TSHRPPARGKMT2A
SCHEMBL2690939 0.81 CYP1A2 (0.53) CYP1A2ALDH1A1TSHRPPARGL3MBTL1
SCHEMBL19976638 0.81 CYP1A2 (0.53) CYP1A2ALDH1A1TSHRPPARGL3MBTL1
SCHEMBL6707183 0.81 CYP1A2 (0.53) CYP1A2ALDH1A1TSHRPPARGL3MBTL1
SCHEMBL664978 0.81 CYP1A2 (0.69) CYP1A2ALDH1A1TSHRPPARGL3MBTL1
SCHEMBL6662416 0.81 CYP1A2 (0.69) CYP1A2ALDH1A1TSHRPPARGL3MBTL1
SCHEMBL28296028 0.81 CYP1A2 (0.69) CYP1A2ALDH1A1TSHRPPARGL3MBTL1

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-9752104-B2 Thiophene AZO carboxylate dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2017-09-05 US disclosed
US-9567465-B2 Thiophene azo carboxylate dyes and laundry care compositions containing the same MILLIKEN & COMPANY (US) 2017-02-14 US disclosed
US-20150368472-A1 Thiophene Azo Carboxylate Dyes and Laundry Care Compositions Containing the Same MILLIKEN & COMPANY 2015-12-24 US disclosed
US-9163146-B2 Thiophene azo carboxylate dyes and laundry care compositions containing the same MILLIKEN & COMPANY (US) 2015-10-20 US disclosed
US-20150031591-A1 THIOPHENE AZO CARBOXYLATE DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME PROCTER & GAMBLE (US) 2015-01-29 US disclosed
US-8888865-B2 Thiophene azo carboxylate dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2014-11-18 US disclosed
US-20120309945-A1 Thiophene Azo Carboxylate Dyes and Laundry Care Compositions Containing the Same MILLIKEN & COMPANY 2012-12-06 US disclosed
US-20120304398-A1 THIOPHENE AZO CARBOXYLATE DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME THE PROCTER & GAMBLE COMPANY 2012-12-06 US disclosed
WO-2012166584-A1 THIOPHENE AZO CARBOXYLATE DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME MILLIKEN & COMPANY (US) 2012-12-06 WO disclosed
WO-2012166699-A1 THIOPHENE AZO CARBOXYLATE DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME THE PROCTER & GAMBLE COMPANY (US) 2012-12-06 WO disclosed