SCHEMBL17965720

SCHEMBL17965720

C#CCCC=CCC=CCCCCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.53
PPARG P37231 3/20 0.48
ALDH1A1 P00352 3/20 0.48
FFAR1 O14842 2/20 0.48
PPARD Q03181 2/20 0.48
PPARA Q07869 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 2/20 0.48
BLM P54132 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
HSPD1 P10809 1/20 0.48
CYP19A1 P11511 1/20 0.48
FABP4 P15090 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL17965719 1.00 TRPV1 (0.53) TRPV1PPARGALDH1A1FFAR1PPARD
SCHEMBL9728293 0.94 FAAH (0.48) TRPV1PPARGPPARDPPARAMAPT
SCHEMBL21670610 0.91 FAAH (0.52) TRPV1PPARGPPARDPPARAMAPT
SCHEMBL21670611 0.91 FAAH (0.52) TRPV1PPARGPPARDPPARAMAPT
SCHEMBL21670602 0.91 FAAH (0.52) TRPV1PPARGPPARDPPARAMAPT
SCHEMBL4068394 0.90 TRPV1 (0.52) TRPV1PPARGALDH1A1FFAR1PPARD
SCHEMBL4068399 0.90 TRPV1 (0.52) TRPV1PPARGALDH1A1FFAR1PPARD
SCHEMBL936554 0.87 FAAH (0.39) TRPV1PPARGALDH1A1PPARDPPARA
SCHEMBL936553 0.87 FAAH (0.39) TRPV1PPARGALDH1A1PPARDPPARA
SCHEMBL30059209 0.85 TRPV1 (0.45) TRPV1PPARGALDH1A1FFAR1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105859529-B Method for producing asymmetric conjugated diyne compound and method for producing Z, Z-conjugated diene compound using the same 信越化学工业株式会社 2020-10-16 CN disclosed
EP-3053906-B1 METHOD FOR PRODUCING ASYMMETRIC CONJUGATED DIYNE COMPOUND AND METHOD FOR PRODUCING Z,Z-CONJUGATED DIENE COMPOUND USING THE SAME SHINETSU CHEMICAL CO (JP) 2017-12-27 EP disclosed
US-9845304-B2 Method for producing asymmetric conjugated diyne compound and method for producing Z,Z-conjugated diene compound using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-12-19 US disclosed
US-20160229829-A1 Method for Producing Asymmetric Conjugated Diyne Compound and Method for Producing Z,Z-Conjugated Diene Compound Using the Same SHIN-ETSU CHEMICAL CO., LTD (JP) 2016-08-11 US disclosed
EP-3053906-A1 METHOD FOR PRODUCING ASYMMETRIC CONJUGATED DIYNE COMPOUND AND METHOD FOR PRODUCING Z,Z-CONJUGATED DIENE COMPOUND USING THE SAME Shin-Etsu Chemical Co., Ltd. (JP) 2016-08-10 EP disclosed