SCHEMBL8510987

SCHEMBL8510987

CCCCCCCCC=CCCCCCCCCNCCC(N)CC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.46
FAAH O00519 3/20 0.44
TRPV1 Q8NER1 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
SLC6A5 Q9Y345 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SOAT1 P35610 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 2/20 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
SCHEMBL8510981 1.00 PPARA (0.46) PPARAFAAHTRPV1ALDH1A1TSHR
SCHEMBL8510461 0.89 ALDH1A1 (0.54) ALDH1A1TSHR
SCHEMBL9329694 0.89 PPARA (0.45) PPARAFAAHTRPV1ALDH1A1TSHR
SCHEMBL25989954 0.88 TSHR (0.56) ALDH1A1TSHRTP53CYP1A2CYP2C19
SCHEMBL16389936 0.86 SLC6A5 (0.47) PPARAFAAHTRPV1ALDH1A1TSHR
SCHEMBL9099455 0.85 PPARA (0.47) PPARAFAAHTRPV1ALDH1A1TSHR
SCHEMBL9099467 0.85 PPARA (0.47) PPARAFAAHTRPV1ALDH1A1TSHR
SCHEMBL8850832 0.84 TSHR (0.42) ALDH1A1TSHRMEN1CYP1A2CYP2C19
SCHEMBL9292286 0.83 FAAH (0.44) PPARAFAAHTRPV1MEN1TP53
SCHEMBL10541150 0.83 PPARA (0.41) PPARAFAAHTRPV1ALDH1A1SLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5944858-A CONTAINING MANGANESE CARBONYL COMPOUND AND OVERBASED COMPOUND ETHYL PETROLEUM ADDITIVES, LTD. (GB) 1999-08-31 US disclosed
US-5575823-A FUEL ADDITIVES ETHYL PETROLEUM ADDITIVES LIMITED (GB) 1996-11-19 US disclosed
EP-0435631-B1 Diesel fuel compositions ETHYL PETROLEUM ADDITIVES LTD (GB) 1994-02-09 EP disclosed
EP-0476197-B1 Hydrocarbonaceous fuel compositions and additives therefor ETHYL PETROLEUM ADDITIVES LTD (GB) 1994-01-12 EP disclosed
EP-0476196-B1 Hydrocarbonaceous fuel compositions and additives therefor ETHYL PETROLEUM ADDITIVES LTD (GB) 1993-11-18 EP disclosed
EP-0482253-A1 Environmentally friendly fuel compositions and additives therefor ETHYL PETROLEUM ADDITIVES LIMITED (GB) 1992-04-29 EP disclosed
EP-0476197-A1 Hydrocarbonaceous fuel compositions and additives therefor ETHYL PETROLEUM ADDITIVES LIMITED (GB) 1992-03-25 EP disclosed
EP-0476196-A1 Hydrocarbonaceous fuel compositions and additives therefor ETHYL PETROLEUM ADDITIVES LIMITED (GB) 1992-03-25 EP disclosed
EP-0435631-A1 Diesel fuel compositions ETHYL PETROLEUM ADDITIVES LIMITED (GB) 1991-07-03 EP disclosed