SCHEMBL9508727

SCHEMBL9508727

CC(O)CCC(C)OC(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.40
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
ELANE P08246 1/20 0.32
FAAH O00519 4/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL9508032 0.82 GABRR1 (0.43) PRKCAELANEFAAHCNR1CNR2
SCHEMBL13073714 0.81 PRKCA (0.41) PRKCAALDH1A1FAAHCNR1CNR2
SCHEMBL25380720 0.81 PRKCA (0.46) PRKCAALDH1A1
SCHEMBL25380718 0.81 PRKCA (0.46) PRKCAALDH1A1
SCHEMBL2934272 0.81 PRKCA (0.41) PRKCAALDH1A1FAAHCNR1CNR2
SCHEMBL23198152 0.81 PRKCA (0.41) PRKCAALDH1A1FAAHCNR1CNR2
SCHEMBL6050131 0.79 PRKCA (0.40) PRKCAFAAH
SCHEMBL3874319 0.78 GABRP (0.43) PRKCA
SCHEMBL2980891 0.76 PRKCA (0.44) PRKCAELANE
SCHEMBL2479166 0.76 PRKCA (0.44) PRKCAELANE

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-0388960-B1 OPTICALLY ACTIVE COMPOUNDS AND THEIR PREPARATION AND USE HITACHI, LTD. (JP) 1993-10-06 EP disclosed
US-5152919-A Stability, chemical resistance, high speed response, large spo ntaneous polarization, molecular orientation and wide temperat ure range HITACHI, LTD. (JP) 1992-10-06 US disclosed
EP-0388960-A1 Optically active compounds and their preparation and use HITACHI, LTD. (JP) 1990-09-26 EP disclosed