SCHEMBL4557504

SCHEMBL4557504

CCCCCCCC1CC1C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
ALDH1A1 P00352 1/20 0.46
EPHX1 P07099 1/20 0.43
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
NOS1 P29475 3/20 0.39
NOS2 P35228 3/20 0.39
NOS3 P29474 2/20 0.39
FUCA1 P04066 9/20 0.37
CYP1A2 P05177 1/20 0.35
GBA1 P04062 1/20 0.35

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
SCHEMBL1437889 1.00 ALOX5 (0.50) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL1573174 1.00 ALOX5 (0.50) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL176362 0.97
SCHEMBL5147443 0.89
SCHEMBL31274418 0.89
SCHEMBL24951394 0.89 ALOX5 (0.47) ALOX5ALDH1A1EPHX1TSHRTHRB
Bicarbonate SCHEMBL11801812 0.89 ALOX5 (0.61) ALOX5ALDH1A1TSHR
SCHEMBL19302096 0.87 ALOX5 (0.42) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL19302125 0.87 ALOX5 (0.42) ALOX5ALDH1A1EPHX1TSHRTHRB
Ammonia Solution, Strong SCHEMBL20492536 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101389705-A Propylene resin composition having flame retardancy and abrasion resistance LS CABLE LTD (KR) 2009-03-18 CN claimed
US-20090036587-A1 Propylene Resin Composition With Flame Retardance And Abrasion Resistance LS CABLE LTD. (KR) 2009-02-05 US claimed
EP-1991613-A1 PROPYLENE RESIN COMPOSITION WITH FLAME RETARDANCE AND ABRASION RESISTANCE LS Cable Ltd. (KR) 2008-11-19 EP claimed
WO-2007097546-A1 PROPYLENE RESIN COMPOSITION WITH FLAME RETARDANCE AND ABRASION RESISTANCE LS CABLE LTD. (KR) 2007-08-30 WO claimed
CN-101389705-A Propylene resin composition having flame retardancy and abrasion resistance LS CABLE LTD (KR) 2009-03-18 CN disclosed
US-20090036587-A1 Propylene Resin Composition With Flame Retardance And Abrasion Resistance LS CABLE LTD. (KR) 2009-02-05 US disclosed
EP-1991613-A1 PROPYLENE RESIN COMPOSITION WITH FLAME RETARDANCE AND ABRASION RESISTANCE LS Cable Ltd. (KR) 2008-11-19 EP disclosed
WO-2007097546-A1 PROPYLENE RESIN COMPOSITION WITH FLAME RETARDANCE AND ABRASION RESISTANCE LS CABLE LTD. (KR) 2007-08-30 WO disclosed