SCHEMBL13536940

SCHEMBL13536940

CCC(C)(C)c1ccc(-c2nc3ccc(-c4ccc5nc(C(C)(C)C)[nH]c5c4)cc3[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 5/20 0.49
▸ TRPV1 Q8NER1 3/20 0.49
▸ HDAC6 Q9UBN7 2/20 0.49
▸ SCD O00767 1/20 0.48
▸ KCNH2 Q12809 3/20 0.46
▸ SCN10A Q9Y5Y9 2/20 0.46
▸ DGAT1 O75907 2/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GMNN O75496 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ PKM P14618 1/20 0.44

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
SCHEMBL12693436 0.94 NPBWR1 (0.49) NPBWR1TRPV1HDAC6SCDKCNH2
SCHEMBL12306902 0.91 SCD (0.47) NPBWR1TRPV1HDAC6SCDKCNH2
SCHEMBL9058427 0.88 HDAC6 (0.62) NPBWR1TRPV1HDAC6SCDKCNH2
SCHEMBL26358087 0.84 HDAC6 (0.60) NPBWR1TRPV1HDAC6SCDKCNH2
SCHEMBL13537125 0.83 ALDH1A1 (0.43) NPBWR1TRPV1SCDKCNH2DGAT1
SCHEMBL12358438 0.83 NPBWR1 (0.46) NPBWR1TRPV1HDAC6SCDKCNH2
SCHEMBL18629758 0.81 TRPV1 (0.63) NPBWR1TRPV1HDAC6SCD
SCHEMBL14315763 0.81 HDAC6 (0.43) NPBWR1TRPV1HDAC6SCDSCN10A
SCHEMBL12250680 0.80 HDAC6 (0.61) NPBWR1TRPV1HDAC6SCDKCNH2
SCHEMBL10052938 0.80 NPC1 (0.50) NPBWR1HDAC6SCDKCNH2DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649025-B2 Composite ion-exchange membrane TOYO BOSEKI KABUSHIKI KAISHA (JP) 2010-01-19 — — US disclosed
US-7537852-B2 Composite ion exchange membrane and electrolyte membrane electrode assembly TOYO BOSEKI KABUSHIKI KAISHA (JP) 2009-05-26 — — US disclosed
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