SCHEMBL10020108

SCHEMBL10020108

CCOc1ccc2c(c1F)C(F)C(F)c1c-2ccc(C(=O)OC2CCC(OCC)CC2)c1F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACACB O00763 6/20 0.34
MRGPRX1 Q96LB2 5/20 0.32
TSPO P30536 2/20 0.32
HTT P42858 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NAAA Q02083 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
TSHR P16473 1/20 0.31
HRH1 P35367 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL10020091 0.89 MAPT (0.33) MAPTSMN1; SMN2ACACBMRGPRX1TSPO
SCHEMBL10020107 0.84 MAPT (0.31) MAPTSMN1; SMN2
SCHEMBL10019360 0.83 POLB (0.34) MAPTSMN1; SMN2HTTTDP1KMT2A
SCHEMBL14766350 0.82 MAPT (0.37) MAPTSMN1; SMN2ACACBMRGPRX1TSPO
SCHEMBL14767243 0.82 MAPT (0.37) MAPTSMN1; SMN2ACACBMRGPRX1TSPO
SCHEMBL10020179 0.82 MAPT (0.34) MAPTSMN1; SMN2ACACBMRGPRX1TSPO
SCHEMBL10020053 0.81 HPGD (0.41) MAPTSMN1; SMN2ACACBHTTTDP1
SCHEMBL10020044 0.80 SMN1; SMN2 (0.34) MAPTSMN1; SMN2HTTTDP1KMT2A
SCHEMBL10019940 0.79 HTR2A (0.35) ACACB
SCHEMBL15257974 0.79 KDM4E (0.39) MAPTKMT2AKDM4EALDH1A1

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
EP-2669263-B1 COMPOUND CONTAINING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2017-11-22 EP disclosed
US-9193908-B2 Compound having dihydrophenanthrene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-11-24 US disclosed
US-9193908-B2 Compound having dihydrophenanthrene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-11-24 US disclosed
US-20130240784-A1 COMPOUND HAVING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-09-19 US disclosed
US-20130240784-A1 COMPOUND HAVING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-09-19 US disclosed
WO-2012086437-A1 COMPOUND CONTAINING DIHYDROPHENANTHRENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY JNC株式会社 (JP) 2012-06-28 WO disclosed