SCHEMBL7823480

SCHEMBL7823480

CCCCCCCCOc1ccc(-c2ncc(OC(=O)CCC3CCCCC3)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.46
NPC1 O15118 6/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL7838480 0.96 HPGD (0.43) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8446918 0.90 HPGD (0.46) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8853553 0.89 RARB (0.44) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8853559 0.89 RARB (0.44) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8853902 0.88 RARB (0.43) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL10000256 0.88 RARB (0.43) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8853910 0.88 RARB (0.43) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8450107 0.85 NPC1 (0.52) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8773149 0.85 NPC1 (0.52) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8447353 0.85 NPC1 (0.52) RARBNPC1RAB9ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5279299-A None JP disclosed
EP-0552658-B1 3-Cyclohexyl propionic acid derivatives and their use in ferroelectric liquid crystal mixtures AVENTIS RES & TECH GMBH & CO (DE) 2001-05-23 EP disclosed
US-5679792-A ELECTROOPTICS, DISPLAYS HOECHST AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
JP-H05279299-A 3-CYCLOHEXYLPROPIONIC ACID AND USED THEREOF IN FERROELECTRIC LIQUID CRYSTAL MIXTURE HOECHST AG 1993-10-26 JP disclosed
EP-0552658-A1 3-Cyclohexyl propionic acid derivatives and their use in ferroelectric liquid crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-28 EP disclosed