SCHEMBL9399644

SCHEMBL9399644

CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(NCCCC)cc3)c(C)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.33
CRBN Q96SW2 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
S1PR3 Q99500 1/20 0.32
RARB P10826 1/20 0.32
MAPK14 Q16539 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
ESR2 Q92731 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
SCHEMBL9398922 0.87 SPHK1 (0.41) MAPTALDH1A1LMNASPHK1GAA
SCHEMBL9399332 0.85 CYP2C9 (0.44) MAPTALDH1A1LMNASPHK1GAA
SCHEMBL9399587 0.85 CYP2C9 (0.44) MAPTALDH1A1LMNASPHK1GAA
SCHEMBL9399296 0.83 RARB (0.49) SPHK1RARB
SCHEMBL9399614 0.82 CNR2 (0.39) CNR2MAPTALDH1A1LMNASPHK1
SCHEMBL9399229 0.82 RAB9A (0.40) LMNACYP2C9CRBNCYP3A4MMP2
SCHEMBL9399290 0.82 SPHK1 (0.39) CNR2SPHK1
SCHEMBL9399568 0.81 MAPT (0.38) CNR2MAPTALDH1A1LMNASPHK1
SCHEMBL21322022 0.81 CYP2C9 (0.36) MAPTALDH1A1LMNASPHK1GAA
SCHEMBL9398903 0.80 MAPT (0.37) CNR2MAPTALDH1A1LMNASPHK1

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