SCHEMBL13296348

SCHEMBL13296348

C=CC(=O)OC(C)Oc1ccc(-c2ccc(OC(C)OC(=O)C=C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 2/20 0.40
THRB P10828 2/20 0.39
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PTPN5 P54829 1/20 0.36
TSHR P16473 1/20 0.35
DRD1 P21728 1/20 0.35
ERN1 O75460 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A3 P47895 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2911864 0.94 CYP1A2 (0.55) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL10870942 0.90 THRB (0.50) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL13368777 0.88 PARP10 (0.39) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL9771285 0.88 CA12 (0.41) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL9488041 0.88 KMT2A (0.41) MAPTTHRBKMT2APARP10TSHR
SCHEMBL2033727 0.87 CYP1A2 (0.46) CYP1A2GAACYP2C9CYP2C19MAPT
SCHEMBL8844438 0.87 RAB9A (0.40) MAPTTHRBACACBKMT2A
SCHEMBL28932860 0.87 CYP1A2 (0.51) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL34034 0.86 THRB (0.46) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL3690540 0.85 LMNA (0.39) 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-20100151154-A1 Polymerizable liquid crystal composition and homeotropically-aligned liquid crystal film CHISSO CORPORATION 2010-06-17 US disclosed
US-20100143612-A1 Polymerizable liquid crystal composition and homogeneous-aligned liquid crystal film CHISSO CORPORATION 2010-06-10 US disclosed