SCHEMBL9706052

SCHEMBL9706052

CC(Cc1ccccc1)c1ccccc1OC(=O)Oc1ccccc1C(C)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.45
ALPL P05186 1/20 0.42
POLB P06746 1/20 0.42
ALPG P10696 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.42
TAAR1 Q96RJ0 3/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
SLC18A2 Q05940 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.40
SRR Q9GZT4 1/20 0.40

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
SCHEMBL991362 0.77 TSHR (0.50) LMNAKDM4EHPGDHSD17B10CYP1A2
SCHEMBL7204826 0.75 NPC1 (0.51) NPC1RAB9ALMNAALPLPOLB
SCHEMBL1936124 0.74 ESR1 (0.47) NPC1RAB9APPARAPPARGTSHR
SCHEMBL28238207 0.74 ESR1 (0.47) NPC1RAB9APPARAPPARGTSHR
SCHEMBL10524183 0.74 KDM4E (0.44) LMNAPOLBKDM4EHPGDHSD17B10
SCHEMBL1790170 0.74 HPGD (0.44) LMNAPOLBKDM4EHPGDHSD17B10
SCHEMBL18050442 0.74 MMP8 (0.47) LMNAPOLBKDM4EPPARG
SCHEMBL13272133 0.73 NPC1 (0.50) NPC1RAB9ALMNAALPLPOLB
SCHEMBL7942002 0.73 ABCB1 (0.52) CYP2C19
SCHEMBL20910420 0.73 CYP2D6 (0.68) RAB9ALMNAPOLBKDM4EHPGD

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
EP-0216860-B1 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS SUMMERTON, James (US) 1992-10-28 EP disclosed
EP-0216860-A4 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS. SUMMERTON JAMES (US) 1989-02-22 EP disclosed
EP-0216860-A1 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS. SUMMERTON JAMES (US) 1987-04-08 EP disclosed
WO-1986005518-A1 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS SUMMERTON JAMES 1986-09-25 WO disclosed