SCHEMBL9399385

SCHEMBL9399385

CCCCCc1ccc(-c2cnc(C3CCC(CCCCC)CC3)nc2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
CNR2 P34972 3/20 0.34
OPRL1 P41146 1/20 0.34
RARB P10826 2/20 0.33
PDE5A O76074 1/20 0.33
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPK1 P28482 1/20 0.33
HDAC4 P56524 1/20 0.32
LNPEP Q9UIQ6 3/20 0.32
CNR1 P21554 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX5 P09917 1/20 0.32
TYR P14679 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL9399372 1.00 FFAR4 (0.37) FFAR4GAAMAPTCNR2OPRL1
SCHEMBL9399406 0.88 CNR2 (0.35) GAAMAPTCNR2RARBPDE5A
SCHEMBL9398730 0.88 GAA (0.36) FFAR4GAAMAPTCNR2MEN1
SCHEMBL9398741 0.88 GAA (0.36) FFAR4GAAMAPTCNR2MEN1
SCHEMBL9399189 0.88 GAA (0.36) FFAR4GAAMAPTCNR2RARB
SCHEMBL9399201 0.88 GAA (0.36) FFAR4GAAMAPTCNR2RARB
SCHEMBL9399400 0.88 CNR2 (0.35) GAAMAPTCNR2RARBPDE5A
SCHEMBL9399320 0.87 GAA (0.36) FFAR4GAAMAPTCNR2MEN1
SCHEMBL9399328 0.87 GAA (0.36) FFAR4GAAMAPTCNR2MEN1
SCHEMBL9399260 0.86 TLR9 (0.41) FFAR4GAAMAPTOPRL1RARB

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 8 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-5047170-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1991-09-10 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