SCHEMBL9528073

SCHEMBL9528073

CC(=O)C1=C(C)c2cc(C)ccc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.50
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP2A6 P11509 1/20 0.41
HSD17B1 P14061 1/20 0.40
ACHE P22303 3/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38
MAOA P21397 2/20 0.37
HTR2C P28335 2/20 0.37
CYP1A2 P05177 1/20 0.37
ADRA2A P08913 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL9526971 0.86 METAP1 (0.50) METAP1MAPTNPC1RAB9AACHE
SCHEMBL9530655 0.84 METAP1 (0.49) METAP1MAPTNPC1RAB9AACHE
Hydrochloric Acid SCHEMBL9530665 0.84 METAP1 (0.49) METAP1MAPTNPC1RAB9AACHE
SCHEMBL19797923 0.80 MAPT (0.41) MAPTNPC1RAB9AHSD17B1CA1
SCHEMBL9526252 0.80 METAP1 (0.45) METAP1MAPTNPC1RAB9AACHE
SCHEMBL17918272 0.79 METAP1 (0.44) METAP1MAPTNPC1RAB9ACA1
SCHEMBL18812912 0.78 HSD11B1 (0.54) MAPTNPC1RAB9AMAOAHTR2C
SCHEMBL27293825 0.72 METAP1 (0.55) METAP1MAPTRAB9ACYP2A6ACHE
SCHEMBL1609651 0.72 METAP1 (0.71) METAP1MAPTACHECA1CA2
SCHEMBL26575457 0.71 RAB9A (0.82) METAP1MAPTNPC1RAB9ACYP2A6

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-0310745-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE ORION-YHTYMÄ OY (FI) 1993-01-27 EP disclosed
EP-0183492-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos-Yhtyma Oy (FI) 1989-11-15 EP disclosed
EP-0310745-A2 Substituted imidazole derivatives and their preparation and use ORION-YHTYMÄ OY (FI) 1989-04-12 EP disclosed
US-4689339-A 4-dihydroinden-2-yl-, 4-tetrahydronaphth-2-yl-, and 4-dihydrobenzofuran-2-ylimidazoles, useful to block α2 -adrenergic receptors FARMOS YHTYMA OY (FI) 1987-08-25 US disclosed