SCHEMBL18200224

SCHEMBL18200224

C=CC(=O)OCCCCCCOc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
MMP3 P08254 5/20 0.46
MMP2 P08253 7/20 0.44
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
THRB P10828 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HRH2 P25021 4/20 0.39
HRH1 P35367 4/20 0.39
HRH3 Q9Y5N1 2/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
PSMD14 O00487 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL17250029 1.00 HDAC1 (0.47) HDAC1HDAC2MMP3MMP2MMP1
SCHEMBL15834357 0.97 MMP2 (0.45) HDAC1HDAC2MMP3MMP2MMP1
SCHEMBL17250032 0.93 HDAC1 (0.41) HDAC1HDAC2MMP3MMP2MMP1
SCHEMBL815645 0.92 THRB (0.47) HDAC1HDAC2THRBALDH1A1CYP3A4
SCHEMBL14088550 0.89 THRB (0.48) THRBALDH1A1CYP3A4TSHRHPGD
SCHEMBL15834297 0.88 HDAC1 (0.41) HDAC1HDAC2MMP3MMP2MMP1
SCHEMBL8939360 0.88 HDAC1 (0.59) HDAC1HDAC2MMP3MMP2MMP1
SCHEMBL8939373 0.88 HDAC1 (0.59) HDAC1HDAC2MMP3MMP2MMP1
SCHEMBL7590582 0.88 HDAC1 (0.59) HDAC1HDAC2MMP3MMP2MMP1
SCHEMBL8939366 0.88 HDAC1 (0.59) HDAC1HDAC2MMP3MMP2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3088426-B1 COMPOUND CONTAINING MESOGENIC GROUP, AND MIXTURE, COMPOSITION, AND OPTICALLY ANISOTROPIC BODY USING SAID COMPOUND DAINIPPON INK & CHEMICALS (JP) 2021-03-24 EP 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-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