SCHEMBL9399539

SCHEMBL9399539

CCCCCCCCCc1cnc(-c2ccc(OC[C@H]3CC[C@H](CCC)CC3)c(C)c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.44
MAPT P10636 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
XDH P47989 2/20 0.37
GRM2 Q14416 5/20 0.36
NPC1 O15118 1/20 0.35
STAT3 P40763 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34

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
SCHEMBL9399267 0.96 RARB (0.44) RARBMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL9399020 0.92 RARB (0.39) RARBMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL9398959 0.91 XDH (0.39) MAPTALDH1A1HPGDXDHGRM2
SCHEMBL9399176 0.88 GRM2 (0.38) RARBMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL9399405 0.85 NPC1 (0.41) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL9399144 0.84 GRM2 (0.37) RARBGRM2NOS3NOS1NOS2
SCHEMBL9398916 0.84 RARB (0.46) RARBMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL10354649 0.84 RARB (0.51) RARBMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL10580395 0.84 RARB (0.51) RARBMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL10354963 0.84 RARB (0.51) RARBMAPTRAB9ASMN1; SMN2KDM4E

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