SCHEMBL8846689

SCHEMBL8846689

CCCCCCCC/C=C/CCCCl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
ALDH1A1 P00352 1/20 0.60
FAAH O00519 5/20 0.58
TRPV1 Q8NER1 1/20 0.58
TERT O14746 3/20 0.50
PTPN1 P18031 3/20 0.50
PPARG P37231 3/20 0.50
PPARD Q03181 3/20 0.50
PPARA Q07869 3/20 0.50
CYP1A2 P05177 2/20 0.50
MAPT P10636 2/20 0.50
CYP2C19 P33261 2/20 0.50
BLM P54132 2/20 0.50
HSD17B10 Q99714 2/20 0.50
FABP4 P15090 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
TOP1 P11387 2/20 0.50
GMNN O75496 1/20 0.50
USP2 O75604 1/20 0.50

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
SCHEMBL27216020 1.00 TSHR (0.60) TSHRALDH1A1FAAHTRPV1TERT
SCHEMBL7135733 1.00 TSHR (0.60) TSHRALDH1A1FAAHTRPV1TERT
SCHEMBL8846630 1.00 TSHR (0.60) TSHRALDH1A1FAAHTRPV1TERT
SCHEMBL7135730 1.00 TSHR (0.60) TSHRALDH1A1FAAHTRPV1TERT
SCHEMBL8846635 1.00 TSHR (0.60) TSHRALDH1A1FAAHTRPV1TERT
SCHEMBL11122470 0.97 TSHR (0.55) TSHRALDH1A1FAAHTRPV1TERT
SCHEMBL8436726 0.97 TSHR (0.55) TSHRALDH1A1FAAHTRPV1TERT
SCHEMBL8436721 0.97 TSHR (0.55) TSHRALDH1A1FAAHTRPV1TERT
SCHEMBL9175891 0.95 TSHR (0.68) TSHRALDH1A1FAAHTRPV1TERT
SCHEMBL9174232 0.95 TSHR (0.68) TSHRALDH1A1FAAHTRPV1TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635467-B1 Method for the isomerization of cis-alkenyl compounds SHINETSU CHEMICAL CO (JP) 1997-10-15 EP disclosed
US-5532421-A NITRIC ACID AS SELECTIVE CATALYST SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-07-02 US disclosed
EP-0635467-A1 Method for the isomerization of cis-alkenyl compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-01-25 EP disclosed