SCHEMBL9007907

SCHEMBL9007907

CCCOCCCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
PLA2G2C Q5R387 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
PSMD10 O75832 1/20 0.40
CYP24A1 Q07973 1/20 0.39
STAT3 P40763 1/20 0.39
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
MCHR1 Q99705 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 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
SCHEMBL2417082 0.97 ALDH1A1 (0.45) ALDH1A1PLA2G2CCYP3A4CYP2C9CYP2C19
SCHEMBL11515704 0.95 ALDH1A1 (0.44) ALDH1A1PLA2G2CCYP3A4CYP2C9CYP2C19
SCHEMBL14706736 0.94 ALDH1A1 (0.43) ALDH1A1PLA2G2CCYP3A4CYP2C9CYP2C19
SCHEMBL14476452 0.94 ALDH1A1 (0.45) ALDH1A1PLA2G2CCYP3A4CYP2C9CYP2C19
SCHEMBL20129020 0.94 PLA2G2C (0.46) ALDH1A1PLA2G2CCYP3A4CYP2C9CYP2C19
SCHEMBL2550352 0.93 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19CA12
SCHEMBL13672853 0.92 PLA2G2C (0.45) ALDH1A1PLA2G2CCYP3A4CYP2C9CYP2C19
SCHEMBL3632373 0.92 PLA2G2C (0.48) ALDH1A1PLA2G2CCA12CA1CA9
SCHEMBL20548023 0.92 PLA2G2C (0.48) ALDH1A1PLA2G2CCA12CA1CA9
SCHEMBL20129041 0.92 PLA2G2C (0.48) ALDH1A1PLA2G2CCA12CA1CA9

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
US-5571689-A Method of N-acylating peptide and proteins with diheteroatom substituted analogs of myristic acid WASHINGTON UNIVERSITY (US) 1996-11-05 US disclosed
US-5082967-A Myristolyation WASHINGTON UNIVERSITY (US) 1992-01-21 US disclosed
EP-0441765-A1 Novel fatty acid analog enzyme substrates WASHINGTON UNIVERSITY (US) 1991-08-14 EP disclosed