SCHEMBL4061902

SCHEMBL4061902

CCOC(C)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 2/20 0.49
PPARG P37231 8/20 0.42
PPARA Q07869 6/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 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
SCHEMBL4059616 0.92 LMNA (0.46) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL997422 0.88 LMNA (0.46) CYP1A2GAACYP2C9PKMCYP2C19
Tannin Pyrogallol SCHEMBL22288201 0.86 LMNA (0.55) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL3852488 0.86 LMNA (0.52) PPARALMNA
SCHEMBL11697237 0.85 LTA4H (0.55) PPARGPPARAMAOANPC1RAB9A
Biphenyl SCHEMBL3862996 0.84 LMNA (0.57) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL13845268 0.84 LMNA (0.38) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL279014 0.84 LMNA (0.38) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL279167 0.82 L3MBTL1 (0.38) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL279565 0.82 L3MBTL1 (0.38) CYP1A2GAACYP2C9PKMCYP2C19

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-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed