SCHEMBL18200239

SCHEMBL18200239

C=CC(=O)OCCCOc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.57
HDAC1 Q13547 7/20 0.44
HDAC2 Q92769 7/20 0.44
HDAC3 O15379 5/20 0.44
HDAC4 P56524 5/20 0.44
HDAC7 Q8WUI4 5/20 0.44
HDAC10 Q969S8 5/20 0.44
HDAC11 Q96DB2 5/20 0.44
HDAC8 Q9BY41 5/20 0.44
HDAC6 Q9UBN7 5/20 0.44
HDAC9 Q9UKV0 5/20 0.44
HDAC5 Q9UQL6 5/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PARP10 Q53GL7 1/20 0.43
MMP3 P08254 1/20 0.42
PRSS1 P07477 1/20 0.42

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
SCHEMBL16379469 1.00 THRB (0.57) THRBHDAC1HDAC2HDAC3HDAC4
SCHEMBL16379460 0.98 THRB (0.57) THRBHDAC1HDAC2HDAC3HDAC4
SCHEMBL14130742 0.98 THRB (0.57) THRBHDAC1HDAC2HDAC3HDAC4
SCHEMBL16379492 0.96 THRB (0.56) THRBHDAC1HDAC2HDAC3HDAC4
SCHEMBL16379455 0.96 THRB (0.56) THRBHDAC1HDAC2HDAC3HDAC4
SCHEMBL12604142 0.96 THRB (0.56) THRBHDAC1HDAC2HDAC3HDAC4
SCHEMBL17301217 0.95 THRB (0.51) THRBHTTMAPTALDH1A1L3MBTL1
SCHEMBL14088562 0.95 THRB (0.51) THRBHTTMAPTALDH1A1L3MBTL1
SCHEMBL20275914 0.95 THRB (0.51) THRBHTTMAPTALDH1A1L3MBTL1
SCHEMBL10050758 0.94 THRB (0.66) THRBHDAC1HDAC2HDAC3HDAC4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210108142-A1 POLARIZED LUMINESCENT FILM DIC CORPORATION (JP) 2021-04-15 US disclosed
US-10473820-B2 Compound containing mesogenic group, and mixture, composition, and optically anisotropic body using said compound DIC CORPORATION (JP) 2019-11-12 US disclosed
US-10196568-B2 Production method for polymerizable liquid crystal composition DIC CORPORATION (JP) 2019-02-05 US disclosed
US-20170003418-A1 COMPOUND CONTAINING MESOGENIC GROUP, AND MIXTURE, COMPOSITION, AND OPTICALLY ANISOTROPIC BODY USING SAID COMPOUND DIC CORPORATION (JP) 2017-01-05 US disclosed
US-20170003418-A1 COMPOUND CONTAINING MESOGENIC GROUP, AND MIXTURE, COMPOSITION, AND OPTICALLY ANISOTROPIC BODY USING SAID COMPOUND DIC CORPORATION (JP) 2017-01-05 US disclosed
EP-3088426-A1 COMPOUND CONTAINING MESOGENIC GROUP, AND MIXTURE, COMPOSITION, AND OPTICALLY ANISOTROPIC BODY USING SAID COMPOUND DIC Corporation (JP) 2016-11-02 EP disclosed