SCHEMBL10030387

SCHEMBL10030387

CCC(C)(C)c1ccc(Oc2ccc(C(C)C)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.69
RAB9A P51151 3/20 0.69
MAPT P10636 2/20 0.69
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HRH3 Q9Y5N1 13/20 0.41
MAOB P27338 8/20 0.41
PTPN1 P18031 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL3630819 0.89 NPC1 (0.50) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL128091 0.87 NPC1 (0.81) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL21671652 0.84 NPC1 (0.49) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL18330670 0.82 HRH3 (0.49) NPC1RAB9AMAPTALDH1A1HRH3
SCHEMBL11050500 0.82 RXRA (0.55) NPC1RAB9AMAPTPOLBALDH1A1
SCHEMBL15054796 0.81 MAPT (1.00) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL172604 0.81 RAB9A (0.64) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL10000943 0.81 MAPT (0.48) NPC1RAB9AMAPTCYP2C9ALDH1A1
SCHEMBL9923543 0.79 NPC1 (0.70) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL2607726 0.79 NPC1 (0.70) NPC1RAB9AMAPTPOLBCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120160317-A1 POLYIMIDE POLYMER SOLUTION, POLYIMIDE POLYMER, TRANSPARENT FILM, DISPLAYING DEVICE AND SOLAR CELL INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-06-28 US disclosed