SCHEMBL26310187

SCHEMBL26310187

OCCOCCN(CCOCCO)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.45
▸ OPRM1 P35372 2/20 0.44
▸ OPRD1 P41143 2/20 0.44
▸ OPRK1 P41145 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ NPBWR1 P48145 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RECQL P46063 1/20 0.39

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
SCHEMBL5555300 0.96 HTT (0.49) HTTOPRM1OPRD1OPRK1HSD17B10
SCHEMBL7692544 0.95 HTT (0.47) HTTHSD17B10TSHRKMT2AMEN1
SCHEMBL10126562 0.95 HTT (0.47) HTTHSD17B10TSHRKMT2AMEN1
SCHEMBL24440540 0.91 HTT (0.51) HTTOPRM1OPRD1OPRK1HSD17B10
SCHEMBL31156713 0.91 HTT (0.51) HTTOPRM1OPRD1OPRK1HSD17B10
SCHEMBL31297045 0.91 MAOB (0.46) HTTHSD17B10TSHRALDH1A1KDM4E
SCHEMBL16930190 0.86 HTT (0.46) HTTHSD17B10TSHRKMT2AMEN1
SCHEMBL10622030 0.84 HTT (0.49) HTTOPRM1OPRD1OPRK1HSD17B10
SCHEMBL17807216 0.84 HDAC3 (0.45) HTTHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL25030285 0.84 HTT (0.45) HTTHSD17B10TSHRKMT2AMEN1

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
WO-2023178065-A2 LIPID COMPOUNDS AND LIPID NANOPARTICLES BROADPHARM INC. (US) 2023-09-21 — — WO disclosed
Send feedback