SCHEMBL17065946

SCHEMBL17065946

O=C(O)c1c(F)c(F)c(OCc2ccccc2)c(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ NR4A2 P43354 2/20 0.49
▸ NR4A1 P22736 1/20 0.49
▸ NR4A3 Q92570 1/20 0.49
▸ THRA P10827 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ FOLH1 Q04609 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SRD5A2 P31213 1/20 0.45
▸ P4HTM Q9NXG6 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KDM1A O60341 2/20 0.43

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
Hydrochloric Acid SCHEMBL9227752 0.98 POLB (0.49) MAPTPOLBTDP1L3MBTL1NR4A2
SCHEMBL9861538 0.95 POLB (0.49) MAPTPOLBTDP1L3MBTL1NR4A2
SCHEMBL24983640 0.90 NR4A2 (0.49) NR4A2NR4A1NR4A3THRATHRB
SCHEMBL9227742 0.87 GLRA1 (0.50) MAPTPOLBTDP1L3MBTL1NR4A2
SCHEMBL31644500 0.87 MAOB (0.51) MAPTPOLBTDP1L3MBTL1LMNA
SCHEMBL31644614 0.84 LMNA (0.58) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL24983834 0.83 KCNA3 (0.47) POLBNR4A2NR4A1NR4A3THRA
SCHEMBL12694517 0.81 MCL1 (0.43) MAPTPOLBTDP1L3MBTL1NR4A2
SCHEMBL12692636 0.81 POLB (0.40) MAPTPOLBTDP1L3MBTL1NR4A2
SCHEMBL31643752 0.80 PTPN1 (0.47) MAPTPOLBTDP1L3MBTL1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106170473-B With asymmetry difunctional bending nuclear reactivity mesomorphic and its preparation method 东进世美肯株式会社 2018-03-16 — — CN disclosed
CN-106170473-A Have asymmetry difunctional bending nuclear reactivity mesomorphic and preparation method 东进世美肯株式会社 2016-11-30 — — CN disclosed
WO-2015133872-A1 BENT-CORE REACTIVE MESOGEN WITH ASYMMETRIC BIFUNCTIONAL GROUP AND METHOD FOR PREPARING SAME 금오공과대학교 산학협력단 2015-09-11 — — WO disclosed
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