SCHEMBL8623358

SCHEMBL8623358

C=C(c1ccc(Br)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 2/20 0.57
CASP3 P42574 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
MAPT P10636 2/20 0.52
POLB P06746 2/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
HSP90AA1 P07900 1/20 0.50
P2RX4 Q99571 1/20 0.50
MAOB P27338 3/20 0.47
HPGD P15428 1/20 0.47
SRD5A2 P31213 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ATM Q13315 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
CYP3A4 P08684 1/20 0.44

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
SCHEMBL2281973 0.85 NPC1 (0.57) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL16560481 0.76 ALDH1A1 (0.66) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL13825372 0.76 MEN1 (0.49) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29459415 0.75 LMNA (0.65) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL154708 0.75 LMNA (0.65) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL5049280 0.74 MAPT (0.55) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL21451034 0.74 MEN1 (0.59) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL26604309 0.74 MEN1 (0.59) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL6343638 0.74 MAPT (0.55) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL3465063 0.74 MEN1 (0.69) MEN1KMT2ANPC1RAB9AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674636-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1998-05-20 EP disclosed
EP-0674636-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1995-10-04 EP disclosed
WO-1994014804-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-07-07 WO disclosed