SCHEMBL3935947

SCHEMBL3935947

CCCCCCCCCCCCC(CCCCCCCC(C)C)OC(=O)c1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
RARB P10826 4/20 0.44
PTPN11 Q06124 3/20 0.44
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
PLA2G4B P0C869 2/20 0.42
GRIN2D O15399 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
MAPK1 P28482 1/20 0.41
PLA2G2A P14555 1/20 0.40

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
SCHEMBL2284064 0.95 ALDH1A1 (0.55) ALDH1A1RARBPTPN11TSHRTP53
SCHEMBL8048844 0.95 RARB (0.48) ALDH1A1RARBPTPN11TSHRGRIN2D
SCHEMBL1960510 0.95 ALDH1A1 (0.55) ALDH1A1RARBPTPN11TSHRTP53
SCHEMBL18096524 0.95 ALDH1A1 (0.55) ALDH1A1RARBPTPN11TSHRTP53
SCHEMBL26104569 0.90 ALDH1A1 (0.55) ALDH1A1RARBPTPN11TSHRTP53
SCHEMBL27892867 0.90 ALDH1A1 (0.55) ALDH1A1RARBPTPN11TSHRTP53
SCHEMBL30019694 0.90 ALDH1A1 (0.55) ALDH1A1RARBPTPN11TSHRTP53
SCHEMBL20678515 0.90 ALDH1A1 (0.55) ALDH1A1RARBPTPN11TSHRTP53
SCHEMBL27367163 0.90 ALDH1A1 (0.55) ALDH1A1RARBPTPN11TSHRTP53
SCHEMBL29276641 0.90 ALDH1A1 (0.55) ALDH1A1RARBPTPN11TSHRTP53

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-7482312-B2 Engine oils for racing applications and method of making same SHELL OIL COMPANY (US) 2009-01-27 US disclosed
US-20060223718-A1 Engine oils for racing applications and method of making same SHELL OIL COMPANY 2006-10-05 US disclosed