SCHEMBL8315680

SCHEMBL8315680

O=C1C(=Cc2ccccc2)CCc2cc(OCCc3ncc[nH]3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.56
ACHE P22303 4/20 0.51
BCHE P06276 3/20 0.51
MAOB P27338 4/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP19A1 P11511 1/20 0.49
HRH3 Q9Y5N1 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
CYP27A1 Q02318 1/20 0.45

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
SCHEMBL8310722 0.90 MIF (0.48) MIFACHEBCHEMAOBNPC1
SCHEMBL8314428 0.88 MIF (0.49) MIFACHEBCHENPC1RAB9A
SCHEMBL8313933 0.87 MIF (0.45) MIFACHEBCHENPC1RAB9A
SCHEMBL8311413 0.87 MIF (0.44) MIFACHEBCHENPC1RAB9A
SCHEMBL8310575 0.85 CYP24A1 (0.52) MIFACHEBCHENPC1RAB9A
SCHEMBL8315233 0.82 MEN1 (0.41) MIFACHEBCHENPC1RAB9A
SCHEMBL8312312 0.81 MAOB (0.53) MAOBHRH3
SCHEMBL6174149 0.80 MIF (0.56) MIFACHEBCHEMAOBNPC1
SCHEMBL6174152 0.80 MIF (0.56) MIFACHEBCHEMAOBNPC1
SCHEMBL8310952 0.76 MAOB (0.61) MAOBHRH3

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-0966446-A1 BICYCLIC INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1999-12-29 EP claimed
WO-1998034921-A1 BICYCLIC INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1998-08-13 WO claimed
EP-0966446-A1 BICYCLIC INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1999-12-29 EP disclosed
WO-1998034921-A1 BICYCLIC INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1998-08-13 WO disclosed