SCHEMBL7222704

SCHEMBL7222704

CCCOC(CO)CC(OCCC)C(C)O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
USP2 O75604 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
SCHEMBL29004783 0.83 TSHR (0.40) ALDH1A1CNR1CNR2USP2
SCHEMBL14895459 0.81 HSD17B10 (0.39) HSD17B10TDP1USP2
SCHEMBL28376276 0.77 CNR1 (0.39) ALDH1A1CNR1CNR2HSD17B10USP2
SCHEMBL381181 0.76
SCHEMBL7733969 0.74 HSD17B10 (0.41) HSD17B10TDP1
SCHEMBL28377324 0.74 HSD17B10 (0.37) HSD17B10TDP1USP2
SCHEMBL222853 0.72
SCHEMBL15145398 0.72
SCHEMBL17213403 0.70 CNR1 (0.40) ALDH1A1CNR1CNR2HSD17B10TDP1
SCHEMBL11208111 0.70 TDP1 (0.36) ALDH1A1TDP1

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
US-6586626-B2 Fluorinating compound in liquid phase ASAHI GLASS COMPANY, LIMITED (JP) 2003-07-01 US disclosed