SCHEMBL9399538

SCHEMBL9399538

CCCCCCCc1ncc(-c2ccc(CCCCCCC)c(F)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.43
RARA P10276 1/20 0.43
RARG P13631 1/20 0.43
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX5 P09917 1/20 0.42
TYR P14679 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 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
SCHEMBL9398886 0.99 RARB (0.41) RARBRARARARGMAPTMEN1
SCHEMBL9399095 0.87 RAB9A (0.44) RARBRARARARGMAPTMEN1
SCHEMBL9399953 0.85 S1PR1 (0.43) RARBRARARARGMAPTRAB9A
SCHEMBL8750999 0.84 MGLL (0.51) RARBRARARARGMAPTMEN1
SCHEMBL8750962 0.84 MGLL (0.51) RARBRARARARGMAPTMEN1
SCHEMBL9399406 0.84 CNR2 (0.35) RARBRARARARGMAPTMEN1
SCHEMBL9399400 0.84 CNR2 (0.35) RARBRARARARGMAPTMEN1
SCHEMBL9398722 0.84 CNR2 (0.41) RARBMAPTMEN1KMT2ATSHR
SCHEMBL10560451 0.84 ICMT (0.47) RARBRARARARGMAPTMEN1
SCHEMBL10562603 0.84 ICMT (0.47) RARBRARARARGMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5338483-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-08-16 US disclosed
US-5310501-A Anisotropic compounds having Nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-05-10 US disclosed
US-5227484-A ANISOTROPIC COMPOUNDS HAVING NEMATIC PHASE AND LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1993-07-13 US disclosed
US-5179101-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1993-01-12 US disclosed
US-4808333-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1989-02-28 US disclosed
EP-0084194-B1 LIQUID CRYSTAL MIXTURES MERCK PATENT GmbH (DE) 1986-04-30 EP disclosed
EP-0084194-A1 Liquid crystal mixtures MERCK PATENT GmbH (DE) 1983-07-27 EP disclosed