SCHEMBL11279345

SCHEMBL11279345

CCOC(=O)C(CCCc1ccc(C)cc1)(CCc1ccccc1)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPRB P23467 1/20 0.45
PTPRG P23470 1/20 0.45
ACP1 P24666 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
MMP8 P22894 1/20 0.43
LMNA P02545 2/20 0.42
ALOX5 P09917 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL18065668 0.89 ALDH1A1 (0.51) TDP1L3MBTL1ALDH1A1RECQLMMP8
SCHEMBL7616395 0.84 ALDH1A1 (0.48) TDP1L3MBTL1ALDH1A1RECQLMMP8
SCHEMBL11133472 0.83 PTPRC (0.46) PTPRCPTPN2PTPN1PTPRBPTPRG
SCHEMBL11275037 0.83 PPARA (0.48) ALDH1A1RECQLMMP8LMNACYP1A2
SCHEMBL22666025 0.83 ALDH1A1 (0.49) TDP1L3MBTL1ALDH1A1RECQLMMP8
SCHEMBL18065664 0.83 ALDH1A1 (0.49) TDP1L3MBTL1ALDH1A1RECQLMMP8
SCHEMBL8490317 0.83 SIGMAR1 (0.45) ALDH1A1RECQLMMP8ALOX5TAAR1
SCHEMBL18065684 0.81 ALDH1A1 (0.55) PTPRCPTPN2PTPN1PTPRBPTPRG
SCHEMBL11077607 0.81 PTPRC (0.45) PTPRCPTPN2PTPN1PTPRBPTPRG
SCHEMBL7614875 0.81 ALDH1A1 (0.45) L3MBTL1ALDH1A1RECQLMMP8ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0064244-A1 Spermicidal 1-bis(arylalkyl)alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-11-10 EP disclosed