SCHEMBL10019637

SCHEMBL10019637

CCCCCc1ccc(OC(=O)c2ccc3c(c2F)C(F)C(F)c2c-3ccc(CCC)c2F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR2 P34972 9/20 0.33
CNR1 P21554 3/20 0.33
RARB P10826 2/20 0.33
PTGES O14684 2/20 0.33
TOP2A P11388 1/20 0.33
RARA P10276 1/20 0.33

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
SCHEMBL10019367 0.89 THRB (0.43) PRSS1ACRNPC1MAPTCASP3
SCHEMBL10019689 0.87 NPC1 (0.32) NPC1MAPTCASP3RAB9ASMN1; SMN2
SCHEMBL10019369 0.86 CTSL (0.34) PRSS1ACRTSHRMEN1ALDH1A1
SCHEMBL10019675 0.85 ESR1 (0.36) PRSS1TSHRNPC1MAPTCASP3
SCHEMBL10019691 0.84 PPARA (0.39) RARBRARARARG
SCHEMBL10020071 0.84 PPARA (0.34) PRSS1ACRTSHRMEN1ALDH1A1
SCHEMBL19622026 0.83 THRB (0.32) CNR2CNR1RARBRARARARG
SCHEMBL15257953 0.82 PRSS1 (0.39) PRSS1ACRTSHRNPC1MAPT
SCHEMBL10019881 0.81 RARB (0.39) PRSS1ACRTSHRMAPTSMN1; SMN2
SCHEMBL10019686 0.81 CNR2 (0.38) TSHRMAPTMEN1ALDH1A1KMT2A

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