SCHEMBL6965403

SCHEMBL6965403

CC1CCc2c(c3c(O)cc(C4CCCCC4C)cc3oc2=O)C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.43
HPGD P15428 9/20 0.43
HSD17B10 Q99714 8/20 0.43
KDM4E B2RXH2 6/20 0.43
GLA P06280 3/20 0.43
GAA P10253 3/20 0.43
CASP1 P29466 3/20 0.43
CASP7 P55210 3/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 4/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 3/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
POLB P06746 1/20 0.32
MAOA P21397 1/20 0.32
THRB P10828 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
SCHEMBL14454479 0.81 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10KDM4EGLA
SCHEMBL14472613 0.77 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10KDM4EGLA
SCHEMBL5553087 0.77 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10KDM4EGLA
SCHEMBL7537433 0.75 DRD4 (0.49) ALDH1A1HPGDHSD17B10KDM4EGLA
SCHEMBL14472697 0.74 ABCB1 (0.46) ALDH1A1HPGDHSD17B10KDM4EGLA
SCHEMBL11603069 0.72 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10KDM4EGLA
SCHEMBL14454513 0.72 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10KDM4EGLA
SCHEMBL5132942 0.71 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10KDM4EGLA
SCHEMBL5659065 0.70 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10KDM4EGLA
SCHEMBL14472614 0.70 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1075470-B1 NOVEL ANALGESIC AND IMMUNOMODULATORY CANNABINOIDS UNIV CONNECTICUT (US) 2003-08-13 EP claimed