SCHEMBL8510461

SCHEMBL8510461

CCCCCCCCCCCCCCCCCCNCCC(N)CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
ANPEP P15144 1/20 0.44
ERAP2 Q6P179 1/20 0.44
S1PR2 O95136 5/20 0.41
S1PR4 O95977 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR5 Q9H228 1/20 0.41
EPHX1 P07099 2/20 0.40
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40
RRM1 P23921 1/20 0.40
DPP7 Q9UHL4 1/20 0.39
PLA2G1B P04054 1/20 0.38
PLA2G2A P14555 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL25989954 0.98 TSHR (0.56) ALDH1A1TSHRANPEPERAP2S1PR2
SCHEMBL8850832 0.94 TSHR (0.42) ALDH1A1TSHRANPEPERAP2S1PR2
SCHEMBL19214781 0.91 TSHR (0.46) ALDH1A1TSHRANPEPERAP2ADH1B
SCHEMBL8510981 0.89 PPARA (0.46) ALDH1A1TSHR
SCHEMBL8510987 0.89 PPARA (0.46) ALDH1A1TSHR
SCHEMBL31563619 0.88 ALDH1A1 (0.54) ALDH1A1TSHRANPEPERAP2S1PR2
SCHEMBL11794411 0.88 ALDH1A1 (0.54) ALDH1A1TSHRANPEPERAP2S1PR2
SCHEMBL13728542 0.86 ALDH1A1 (0.52) ALDH1A1TSHRANPEPERAP2S1PR2
SCHEMBL11826637 0.86 ALDH1A1 (0.52) ALDH1A1TSHRANPEPERAP2S1PR2
SCHEMBL31139219 0.86 CA12 (0.50) TSHRGNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4367074-A Novel filter aid compositions for improving the limiting filterability temperature and inhibition of n-paraffin crystal formation during low temperature of middle distillates ELF FRANCE (FR) 1983-01-04 US claimed
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
US-4622047-A MIXTURE OF REACTION PRODUCT OF N-ALKYL POLYAMINE WITH CYCLIC ANHYDRIDE AND ETHOXYLATED AMINE AND CARBOXYLIC ACID ELF FRANCE (FR) 1986-11-11 US disclosed
US-4367074-A Novel filter aid compositions for improving the limiting filterability temperature and inhibition of n-paraffin crystal formation during low temperature of middle distillates ELF FRANCE (FR) 1983-01-04 US disclosed