SCHEMBL10033245

SCHEMBL10033245

C=CC(=O)OCC(C)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
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
TSHR P16473 1/20 0.50
THRB P10828 1/20 0.46
PPARG P37231 9/20 0.43
PPARA Q07869 7/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL181493 0.91 TSHR (0.56) MAPTCYP1A2GAACYP2C9PKM
SCHEMBL5899543 0.84 TSHR (0.45) GAATSHRTHRBMTNR1AMTNR1B
SCHEMBL495458 0.84 MMP2 (0.51) MAPTGAATSHR
SCHEMBL494779 0.84 MMP2 (0.51) MAPTGAATSHR
SCHEMBL15933330 0.83 MAPT (0.38) MAPTCYP1A2GAACYP2C9PKM
SCHEMBL11752040 0.82 MAPT (0.57) MAPTCYP1A2GAACYP2C9PKM
SCHEMBL4651424 0.82 TSHR (0.49) MAPTTSHRTHRBMTNR1AMTNR1B
SCHEMBL15307550 0.81 TSHR (0.50) GAATSHRTHRBMTNR1AMTNR1B
SCHEMBL22819902 0.80 MAPT (0.42) MAPTGAATSHRTHRB
SCHEMBL2911864 0.78 CYP1A2 (0.55) MAPTCYP1A2GAACYP2C9PKM

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-8105662-B2 Additive components for liquid crystalline materials ROLIC AG (CH) 2012-01-31 US disclosed
US-20070257230-A1 Additive Components for Liquid Crystalline Materials ROLIC AG (CH) 2007-11-08 US disclosed