SCHEMBL11206453

SCHEMBL11206453

CCOC(=O)OC1(CCCCCc2ccc(OC)cc2)CO1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
GLA P06280 1/20 0.44
ALOX5 P09917 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.40
ABCB11 O95342 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
CALM1 P0DP23 1/20 0.40
IGF1R P08069 1/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL11365927 0.95 KMT2A (0.46) KMT2AGLAALOX5SMN1; SMN2MEN1
SCHEMBL11203799 0.89 LMNA (0.43) KMT2ASMN1; SMN2MEN1POLBLMNA
SCHEMBL11208706 0.87 MAPT (0.48) KMT2AMEN1LMNAABCB11MAPT
SCHEMBL11206652 0.87 THRA (0.36) KMT2AMEN1POLBLMNAABCB11
SCHEMBL7359104 0.87 MAPT (0.48) KMT2AMEN1LMNAABCB11MAPT
SCHEMBL11201942 0.87 THRA (0.36) KMT2AMEN1POLBLMNAABCB11
SCHEMBL11201202 0.87 KCNA3 (0.41) KMT2AALOX5MEN1POLBLMNA
SCHEMBL11206024 0.87 KCNA3 (0.41) KMT2AALOX5MEN1POLBLMNA
SCHEMBL11203299 0.87 KCNA3 (0.41) KMT2AALOX5MEN1POLBLMNA
SCHEMBL11208527 0.87 KCNA3 (0.41) KMT2AALOX5MEN1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0025192-B1 SUBSTITUTED OXIRANE CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-05-11 EP disclosed
EP-0025192-A2 Substituted oxirane carboxylic acids, process for their preparation, their use and medicines containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1981-03-18 EP disclosed