SCHEMBL9399565

SCHEMBL9399565

CCCCCCCCC[C@H]1CC[C@H](CCc2ccc(-c3ncc(CCC)cn3)cc2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.41
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 3/20 0.32
STAT3 P40763 1/20 0.32
ATM Q13315 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL9399334 0.96 RARB (0.46) RARBRAB9ASMN1; SMN2MAPTGAA
SCHEMBL9398812 0.92 RARB (0.42) RARBRAB9ASMN1; SMN2MAPTGAA
SCHEMBL9398804 0.92 RARB (0.42) RARBRAB9ASMN1; SMN2MAPTGAA
SCHEMBL9398916 0.91 RARB (0.46) RARBRAB9ASMN1; SMN2MAPTGAA
SCHEMBL9433313 0.91 RARB (0.34) RARBRAB9ASMN1; SMN2MAPTGAA
SCHEMBL9399299 0.87 RAB9A (0.38) RARBRAB9ASMN1; SMN2MAPTGAA
SCHEMBL9432823 0.87 RAB9A (0.41) RARBRAB9ASMN1; SMN2MAPTGAA
SCHEMBL9399336 0.84 MAPT (0.38) RARBMAPTGAAMEN1KMT2A
SCHEMBL9399020 0.84 RARB (0.39) RARBRAB9ASMN1; SMN2MAPTGAA
SCHEMBL10355307 0.83 RAB9A (0.52) RARBRAB9ASMN1; SMN2MAPTGAA

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