SCHEMBL13197644

SCHEMBL13197644

CCCCCCc1ccc(-c2ccc(-c3ccc(C)cc3)s2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 2/20 0.36
▸ HSD17B2 P37059 2/20 0.36
▸ GCGR P47871 1/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CYP2E1 P05181 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2B6 P20813 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ESRRG P62508 1/20 0.34

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
SCHEMBL14565385 1.00 HSD17B1 (0.36) HSD17B1HSD17B2GCGRKCNH2HTT
SCHEMBL12743919 0.97 HSD17B1 (0.38) HSD17B1HSD17B2GCGRKCNH2HTT
SCHEMBL12744352 0.94 ALDH1A1 (0.36) HSD17B1HSD17B2HTTRAB9ATRPV1
SCHEMBL2247644 0.94 KCNH2 (0.39) KCNH2RAB9ATRPV1CYP2E1CYP3A4
SCHEMBL5353884 0.94 KCNH2 (0.39) KCNH2RAB9ATRPV1CYP2E1CYP3A4
SCHEMBL2768137 0.94 KCNH2 (0.39) KCNH2RAB9ATRPV1CYP2E1CYP3A4
SCHEMBL10015617 0.94 KCNH2 (0.39) KCNH2RAB9ATRPV1CYP2E1CYP3A4
SCHEMBL2767901 0.94 KCNH2 (0.39) KCNH2RAB9ATRPV1CYP2E1CYP3A4
SCHEMBL13410303 0.92 TSHR (0.39) KCNH2RAB9ATRPV1CYP2E1CYP3A4
SCHEMBL10015608 0.92 KDM4E (0.34) HSD17B1HSD17B2GCGRRAB9ANPC1

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-7781757-B2 Organic semiconductor material, organic semiconductor element and field effect transistor using the same SANYO ELECTRIC CO., LTD. (JP) 2010-08-24 — — US disclosed
US-7781757-B2 Organic semiconductor material, organic semiconductor element and field effect transistor using the same SANYO ELECTRIC CO., LTD. (JP) 2010-08-24 — — US disclosed
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