SCHEMBL9024670

SCHEMBL9024670

Cc1c[c]cc(C)c1OCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
CD69 Q07108 4/20 0.43
MCL1 Q07820 1/20 0.42
HPGD P15428 2/20 0.41
PTPRB P23467 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ELANE P08246 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR4A1 P22736 1/20 0.39
APEX1 P27695 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL14694060 0.85 KMT2A (0.49) KMT2AHPGDSMN1; SMN2
SCHEMBL14694190 0.81 MGMT (0.36) KMT2AHSD17B10ALOX15SMN1; SMN2POLB
SCHEMBL9023776 0.81 LMNA (0.42) KMT2AHSD17B10KDM4E
SCHEMBL14694191 0.79 TSHR (0.54) KMT2AMCL1L3MBTL1KDM4E
SCHEMBL14694104 0.79 GAA (0.45) HPGDHSD17B10SMN1; SMN2L3MBTL1KDM4E
SCHEMBL14694059 0.79 RAB9A (0.39) KMT2ASMN1; SMN2POLBL3MBTL1KDM4E
SCHEMBL14694114 0.79 TSHR (0.62) KMT2AHPGDSMN1; SMN2POLB
SCHEMBL830740 0.78 KMT2A (0.60) KMT2ACD69HSD17B10ALOX15SMN1; SMN2
SCHEMBL2059355 0.78 CSNK2A2 (0.49) KMT2ACD69MCL1HPGDPTPRB
SCHEMBL9025093 0.77 POLB (0.53) KMT2ACD69HPGDHSD17B10ELANE

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-2318415-B1 OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS SANOFI SA (FR) 2013-02-20 EP disclosed
EP-0398179-B1 Rhodanine derivatives and pharmaceutical compositions NISSHIN FLOUR MILLING CO (JP) 1996-01-17 EP disclosed
US-5116855-A Aldose reductase inhibitors; antidiabetic agents NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-05-26 US disclosed
EP-0398179-A1 Rhodanine derivatives and pharmaceutical compositions NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-11-22 EP disclosed