SCHEMBL7429112

SCHEMBL7429112

ClCCOCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HRH3 Q9Y5N1 5/20 0.53
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
LMNA P02545 1/20 0.47

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
SCHEMBL196951 0.89 IDO1 (0.67) IDO1MEN1KMT2AHRH3DRD2
SCHEMBL3886046 0.87 CA1 (0.44) IDO1MEN1KMT2AHRH3HTR2A
SCHEMBL10772938 0.85 IDO1 (0.57) IDO1MEN1KMT2AHRH3DRD2
SCHEMBL28130088 0.85 IDO1 (0.61) IDO1MEN1KMT2AHRH3DRD2
SCHEMBL7239389 0.83 MEN1 (0.46) IDO1MEN1KMT2AHRH3DRD2
SCHEMBL198056 0.82 IDO1 (0.58) IDO1MEN1KMT2AHRH3SIGMAR1
SCHEMBL7449325 0.80 TDP1 (0.61) IDO1MEN1KMT2AHRH3SIGMAR1
SCHEMBL7448881 0.80 TDP1 (0.61) IDO1MEN1KMT2AHRH3SIGMAR1
SCHEMBL20127257 0.80 IDO1 (0.61) IDO1MEN1KMT2AHRH3DRD2
SCHEMBL8048487 0.80 TDP1 (0.61) IDO1MEN1KMT2AHRH3SIGMAR1

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-0046590-B1 PHEN(ALK)OXY-SUBSTITUTED OXIRANE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND DRUGS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1985-05-22 EP disclosed
US-4337267-A HYPOKETONEMIC, HYPOGLYCEMIC, ANTIDIABETIC BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-06-29 US disclosed
WO-1982000643-A1 SUBSTITUTED OXIRANECARBONIC ACIDS,PREPARATION AND PHARMACEUTICAL UTILISATION THEREOF BYK GULDEN LOMBERG CHEM FAB (DE) 1982-03-04 WO disclosed
EP-0046590-A2 Phen(alk)oxy-substituted oxirane-carboxylic acids, process for their preparation, their use and drugs containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-03-03 EP disclosed