SCHEMBL9075178

SCHEMBL9075178

O=C(c1ccccc1)c1ccc(OCC(O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.62
GAA P10253 1/20 0.62
MAPK1 P28482 2/20 0.61
PPARA Q07869 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
SRD5A2 P31213 1/20 0.54
HTT P42858 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 2/20 0.53
ELANE P08246 2/20 0.53
MAPT P10636 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52

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
SCHEMBL18543110 0.89 ABCB1 (0.71) ABCB1GAAMAPK1PPARASMN1; SMN2
SCHEMBL4200509 0.86 LMNA (0.68) ABCB1GAAMAPK1PPARASMN1; SMN2
SCHEMBL2384639 0.85 ABCB1 (0.66) ABCB1GAAMAPK1PPARASMN1; SMN2
SCHEMBL31098144 0.85 ABCB1 (0.66) ABCB1GAAMAPK1PPARASMN1; SMN2
SCHEMBL9618955 0.85 ABCB1 (0.66) ABCB1GAAMAPK1PPARASMN1; SMN2
SCHEMBL16526411 0.84 MAPT (0.67) ABCB1GAAMAPK1PPARASMN1; SMN2
SCHEMBL4197347 0.83 ABCB1 (0.68) ABCB1GAAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL10313058 0.83 ABCB1 (0.64) ABCB1GAAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL14625832 0.83 ABCB1 (0.64) ABCB1GAAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL15188957 0.83 ABCB1 (0.64) ABCB1GAAMAPK1PPARASMN1; SMN2

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-5492894-A TRI TO HEXAPEPTIDE COTAINING ATLEAST THREE AMINO ACIDS IN THE FORM OF ARGANINE AND LYSINE FOR TOPICALLY APPLYING TO THE SKIN OF MAMMAL TO REGULATE WRINKLES THE PROCTER & GAMBLE COMPANY (US) 1996-02-20 US disclosed
US-4012399-A ULTRAVIOLET LIGHT ABSORBERS AND STABILIZERS CINCINNATI MILACRON CHEMICALS, INC. (US) 1977-03-15 US disclosed