SCHEMBL20803704

SCHEMBL20803704

C=Cc1ccc(-c2ccc(-c3ccc(OCC)c(F)c3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 1/20 0.46
▸ KDM1A O60341 2/20 0.42
▸ NAAA Q02083 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ FAAH O00519 1/20 0.40
▸ TNFRSF1A P19438 1/20 0.39
▸ FFAR1 O14842 2/20 0.39
▸ PPARD Q03181 2/20 0.39
▸ CYP17A1 P05093 1/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ PKM P14618 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
SCHEMBL20803731 0.93 TUBB1 (0.41) TUBB1KDM1ANAAAL3MBTL1ALDH1A1
SCHEMBL20803686 0.87 GABRA1 (0.39) TUBB1KDM1ANAAAFAAHTNFRSF1A
SCHEMBL16950394 0.87 TUBB1 (0.54) TUBB1KDM1AL3MBTL1ALDH1A1MEN1
SCHEMBL9484876 0.85 L3MBTL1 (0.53) TUBB1KDM1ANAAAL3MBTL1ALDH1A1
SCHEMBL12736528 0.84 TACR2 (0.40) TUBB1NAAAALDH1A1KDM4EPOLB
SCHEMBL12734706 0.83 TUBB1 (0.40) TUBB1KDM1ANAAAKDM4EKMT2A
SCHEMBL10301699 0.83 TUBB1 (0.43) TUBB1KDM1ANAAAFAAHTNFRSF1A
SCHEMBL12735646 0.82 NAAA (0.38) TUBB1KDM1ANAAAFAAHTNFRSF1A
SCHEMBL12737085 0.82 FFAR1 (0.40) TUBB1NAAAALDH1A1MEN1POLB
SCHEMBL12739567 0.81 TUBB1 (0.50) TUBB1KDM1AKDM4EKMT2AFAAH

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-10533136-B2 Liquid crystalline compound having fluorobiphenyl group and negative dielectric anisotropy, liquid crystal composition, and liquid crystal display element JNC CORPORATION (JP) 2020-01-14 — — US disclosed
US-20190078020-A1 LIQUID CRYSTALLINE COMPOUND HAVING FLUOROBIPHENYL GROUP AND NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2019-03-14 — — US disclosed
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