SCHEMBL9526971

SCHEMBL9526971

CC1=C(C(=O)O)Cc2ccc(C)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.50
CSNK2A1 P68400 1/20 0.39
ACHE P22303 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 3/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
SRD5A2 P31213 1/20 0.38
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 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
Hydrochloric Acid SCHEMBL9530665 0.98 METAP1 (0.49) METAP1CSNK2A1ACHEALDH1A1MEN1
SCHEMBL9528073 0.86 METAP1 (0.50) METAP1ACHEALDH1A1MAPTCA1
SCHEMBL9530655 0.84 METAP1 (0.49) METAP1ACHEALDH1A1MAPTCA1
SCHEMBL9526252 0.80 METAP1 (0.45) METAP1ACHEMEN1KMT2AMAPT
SCHEMBL17918272 0.79 METAP1 (0.44) METAP1ALDH1A1MEN1HPGDKMT2A
SCHEMBL714287 0.78 HSD11B1 (0.54) ALDH1A1NPC1RAB9ASRD5A2MAOA
SCHEMBL29935354 0.78 HSD11B1 (0.54) ALDH1A1NPC1RAB9ASRD5A2MAOA
SCHEMBL27293825 0.72 METAP1 (0.55) METAP1ACHEALDH1A1MAPTCA1
SCHEMBL1609651 0.72 METAP1 (0.71) METAP1ACHEALDH1A1MEN1KMT2A
SCHEMBL546147 0.71 METAP1 (0.57) METAP1ACHEALDH1A1MEN1KMT2A

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