SCHEMBL9201093

SCHEMBL9201093

O=C(N[C@H]1CNC[C@@H]1O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.53
CNR2 P34972 1/20 0.53
EZH2 Q15910 1/20 0.53
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
GUSB P08236 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
TAOK1 Q7L7X3 1/20 0.51
MAOB P27338 1/20 0.50
CASP3 P42574 1/20 0.50

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
SCHEMBL9201097 1.00 FAAH (0.53) FAAHCNR2EZH2NR4A1NR4A2
SCHEMBL9396390 0.85 MMP2 (0.56) FAAHCNR2NR4A1NR4A2NR4A3
SCHEMBL9196805 0.85 MMP2 (0.56) FAAHCNR2NR4A1NR4A2NR4A3
SCHEMBL9196809 0.85 MMP2 (0.56) FAAHCNR2NR4A1NR4A2NR4A3
SCHEMBL9202511 0.84 CNR1 (0.56) FAAHCNR2EZH2NR4A1NR4A2
SCHEMBL9202517 0.84 CNR1 (0.56) FAAHCNR2EZH2NR4A1NR4A2
Hydrochloric Acid SCHEMBL7619875 0.82 MMP2 (0.61) EZH2NPC1NR1H4TAOK1
Hydrochloric Acid SCHEMBL7619870 0.82 MMP2 (0.61) EZH2NPC1NR1H4TAOK1
SCHEMBL11337013 0.81 HSD17B10 (0.44) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL11337008 0.81 HSD17B10 (0.44) NPC1RAB9ASMN1; SMN2MAPTMEN1

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-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP disclosed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO disclosed