SCHEMBL9526203

SCHEMBL9526203

CC1=C(C(=O)O)Cc2c(C)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.43
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ACHE P22303 2/20 0.39
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
TYR P14679 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
NOTUM Q6P988 1/20 0.36
LMNA P02545 1/20 0.35
MCL1 Q07820 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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 SCHEMBL9526664 0.98 MYC (0.42) MYCHPGDKDM4EALDH1A1HSD17B10
SCHEMBL9527164 0.86 NOTUM (0.39) MYCHPGDALDH1A1ACHEPARP1
SCHEMBL9526658 0.84 TYR (0.39) MYCHPGDKDM4EALDH1A1HSD17B10
SCHEMBL7712845 0.83 RXRA (0.43) MYCHPGDKDM4EALDH1A1HSD17B10
SCHEMBL9527170 0.80 GSK3B (0.36) MYCALDH1A1ACHEPARP1PARP10
SCHEMBL12602209 0.79 CA12 (0.44) HPGDKDM4EALDH1A1HSD17B10CA1
SCHEMBL714287 0.74 HSD11B1 (0.54) MYCALDH1A1HSD17B10CYP3A4CYP2C9
SCHEMBL29935354 0.74 HSD11B1 (0.54) MYCALDH1A1HSD17B10CYP3A4CYP2C9
SCHEMBL8931109 0.72 SLC9A1 (0.33) MYCTYRCA1CA2CA7
SCHEMBL2052193 0.71 ACHE (0.47) ALDH1A1ACHEPARP1PARP10PARP11

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-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