SCHEMBL17477122

SCHEMBL17477122

C=C(C)C(=O)Oc1ccc(-c2ccc(CCC(CO)CO)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
KMT2A Q03164 3/20 0.41
ATM Q13315 1/20 0.41
MMP12 P39900 6/20 0.39
MMP13 P45452 3/20 0.39
THRB P10828 2/20 0.38
ACACB O00763 2/20 0.36
ACACA Q13085 2/20 0.36
PTGS2 P35354 2/20 0.35
MEN1 O00255 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP14 P50281 1/20 0.35

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
SCHEMBL17484410 0.92 ELANE (0.42) ELANEKMT2AATMMMP12MMP13
SCHEMBL17484452 0.86 MAOB (0.37) KMT2AMMP12MMP13THRBACACB
SCHEMBL26362231 0.85 ELANE (0.53) ELANEKMT2AATMTHRBACACB
SCHEMBL26362357 0.85 ELANE (0.53) ELANEKMT2AATMTHRBACACB
SCHEMBL17484464 0.84 ELANE (0.49) ELANEKMT2AATMTHRBACACB
SCHEMBL17484400 0.83 RARB (0.37) MMP12MMP13
SCHEMBL10020925 0.82 PPARA (0.48) ELANEKMT2AATMTHRBPTGS2
SCHEMBL17484413 0.82 POLB (0.40) MMP12MMP13THRBMMP2MMP9
SCHEMBL883697 0.81 THRB (0.58) ELANEKMT2AATMTHRBACACB
SCHEMBL20827825 0.81 THRB (0.58) ELANEKMT2AATMTHRBACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106536679-B Liquid-crystalline medium with homeotropic alignment 默克专利股份有限公司 2020-08-07 CN disclosed
EP-3174955-B1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2019-10-23 EP disclosed
EP-3174955-B1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2019-10-23 EP disclosed
US-10294426-B2 Liquid crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2019-05-21 US disclosed
US-10294426-B2 Liquid crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2019-05-21 US disclosed
US-20180208848-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
US-20180208848-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
US-20180208848-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
EP-3174955-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT Merck Patent GmbH (DE) 2017-06-07 EP disclosed
WO-2016015803-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2016-02-04 WO disclosed
WO-2016015803-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2016-02-04 WO disclosed