SCHEMBL9399568

SCHEMBL9399568

CCCCC[C@H]1CC[C@H](c2ccc(NCCCC)c(C)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
CYP2C9 P11712 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
SPHK1 Q9NYA1 4/20 0.35
GAA P10253 2/20 0.35
AR P10275 1/20 0.34
VDR P11473 1/20 0.34
CNR2 P34972 2/20 0.34
TLR7 Q9NYK1 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
S1PR3 Q99500 1/20 0.33
ESR2 Q92731 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
SCHEMBL9398903 0.99 MAPT (0.37) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL9399499 0.96 MAPT (0.37) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL9433445 0.96 MAPT (0.37) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL9399384 0.88 SPHK1 (0.35) MAPTALDH1A1LMNACYP2C9SPHK1
SCHEMBL9399877 0.83 OPRL1 (0.41) MAPTGAACNR2
SCHEMBL9398933 0.82 CYP3A4 (0.37) CYP2C9MEN1KMT2AARVDR
SCHEMBL9399644 0.81 CNR2 (0.37) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL9399799 0.81 OPRL1 (0.40) MAPTCYP2C9SPHK1GAATLR7
SCHEMBL9399614 0.81 CNR2 (0.39) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL9399626 0.81 CYP3A4 (0.39) CYP2C9KMT2AARVDRCNR2

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