SCHEMBL27492001

SCHEMBL27492001

CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC.O=C(O)c1cccc(C(=O)O)c1S(=O)(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.69
TSHR P16473 5/20 0.69
LMNA P02545 3/20 0.69
MAPK1 P28482 3/20 0.67
CYP3A4 P08684 2/20 0.67
TP53 P04637 1/20 0.67
L3MBTL1 Q9Y468 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
KDM4E B2RXH2 3/20 0.58
HSD17B10 Q99714 2/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
S1PR3 Q99500 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PPARA Q07869 1/20 0.47
GPR35 Q9HC97 1/20 0.47
PTPN11 Q06124 2/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL28770103 0.89 ALDH1A1 (0.61) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL6398748 0.86 ALDH1A1 (0.87) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL6401287 0.86 ALDH1A1 (0.87) ALDH1A1TSHRLMNAMAPK1CYP3A4
Phthalic Acid SCHEMBL5568472 0.86 ALDH1A1 (0.87) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL19810345 0.86 ALDH1A1 (0.87) ALDH1A1TSHRLMNAMAPK1CYP3A4
Phthalic Acid SCHEMBL3055300 0.86 ALDH1A1 (0.87) ALDH1A1TSHRLMNAMAPK1CYP3A4
Phthalic Acid SCHEMBL10957158 0.86 ALDH1A1 (0.87) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL6405052 0.86 ALDH1A1 (0.87) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL6404672 0.86 ALDH1A1 (0.87) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL149076 0.86 ALDH1A1 (0.87) ALDH1A1TSHRLMNAMAPK1CYP3A4

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
CN-1192236-A cleaning composition containing keratinase PROCTER & GAMBLE (US) 1998-09-02 CN disclosed