SCHEMBL11048064

SCHEMBL11048064

CCCc1ccc(C2CCC(CCC)(OC(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PTGIR P43119 1/20 0.36
CHRNA7 P36544 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
NR2F2 P24468 1/20 0.35
PAX8 Q06710 1/20 0.35
KLF5 Q13887 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 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
SCHEMBL27475789 0.91 SLC18A3 (0.43) SLC18A3LMNAALDH1A1MAPTKMT2A
SCHEMBL8439206 0.80 ALDH1A1 (0.37) SLC18A3ALDH1A1MAPT
SCHEMBL17319429 0.80 LMNA (0.50) LMNAALDH1A1KMT2A
SCHEMBL9719627 0.78 SIGMAR1 (0.38) MRGPRX4KMT2A
SCHEMBL7125778 0.77 FASN (0.36) ALDH1A1MRGPRX4
SCHEMBL11248829 0.77 SIGMAR1 (0.38) MRGPRX4KMT2A
SCHEMBL28155395 0.76 LMNA (0.46) LMNAMEN1KMT2A
SCHEMBL7517312 0.75 SLC18A3 (0.36) SLC18A3LMNAALDH1A1MAPTOPRM1
SCHEMBL28588173 0.74 ALDH1A1 (0.41) SLC18A3ALDH1A1MAPTMEN1KMT2A
SCHEMBL8453442 0.73 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4464283-A Liquid crystal composition HITACHI, LTD. (JP) 1984-08-07 US claimed
JP-58008778-A None JP disclosed
US-4464283-A Liquid crystal composition HITACHI, LTD. (JP) 1984-08-07 US disclosed
JP-S588778-A LIQUID CRYSTAL COMPOSITION HITACHI LTD 1983-01-18 JP disclosed