SCHEMBL7776255

SCHEMBL7776255

CC(C)(CCCCCO)c1ccccc1C(C)(C)CCCCCO

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.43
CNR1 P21554 7/20 0.43
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CA2 P00918 1/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
Tridecan-1-Ol SCHEMBL8500797 0.83 CNR1 (0.46) CNR2CNR1ALDH1A1TSHRTDP1
SCHEMBL11445241 0.81 CNR2 (0.46) CNR2CNR1
SCHEMBL11216774 0.78 CNR2 (0.43) CNR2CNR1HSP90AA1HSP90AB1
SCHEMBL475888 0.77 KIF11 (0.42) CNR2CNR1
SCHEMBL6676497 0.77 TAAR1 (0.50) CNR2CNR1ALDH1A1LMNAKMT2A
SCHEMBL12680655 0.77 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRTDP1CA2
SCHEMBL31729328 0.73 SIGMAR1 (0.42) ALDH1A1HSP90AA1HSP90AB1LMNA
SCHEMBL678356 0.73 CNR1 (0.50) CNR2CNR1ALDH1A1TSHRTDP1
SCHEMBL983874 0.73 CNR1 (0.50) CNR2CNR1ALDH1A1TSHRTDP1
SCHEMBL11639019 0.73 CNR1 (0.50) CNR2CNR1ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137711-A1 CHLORINE AND BROMINE-FREE FLAME RESISTANT POLYCARBONATE MOULDING SUBSTANCES Bayer Aktiengesellschaft (DE) 2001-10-04 EP disclosed
WO-2000029483-A1 CHLORINE AND BROMINE-FREE FLAME RESISTANT POLYCARBONATE MOULDING SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2000-05-25 WO disclosed