SCHEMBL9196809

SCHEMBL9196809

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.56
MMP7 P09237 1/20 0.56
MMP9 P14780 1/20 0.56
MMP13 P45452 1/20 0.56
CNR1 P21554 1/20 0.55
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
GUSB P08236 1/20 0.54
FAAH O00519 1/20 0.53
CNR2 P34972 1/20 0.53
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL9196805 1.00 MMP2 (0.56) MMP2MMP7MMP9MMP13CNR1
SCHEMBL9396390 1.00 MMP2 (0.56) MMP2MMP7MMP9MMP13CNR1
SCHEMBL9202517 0.96 CNR1 (0.56) MMP2MMP7MMP9MMP13CNR1
SCHEMBL9202511 0.96 CNR1 (0.56) MMP2MMP7MMP9MMP13CNR1
SCHEMBL9054841 0.86 MMP2 (0.54) MMP2MMP7MMP9MMP13HDAC3
SCHEMBL9201097 0.85 FAAH (0.53) HDAC3HDAC1HDAC2NCOR2GUSB
SCHEMBL9201093 0.85 FAAH (0.53) HDAC3HDAC1HDAC2NCOR2GUSB
SCHEMBL9054219 0.85 MMP2 (0.53) MMP2MMP7MMP9MMP13HDAC3
SCHEMBL9396020 0.84 SLC6A5 (0.66) NPC1RAB9ASMN1; SMN2SLC6A5
SCHEMBL9195950 0.84 SLC6A5 (0.58) NPC1RAB9ASLC6A5

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