SCHEMBL12484267

SCHEMBL12484267

CC1CCC(C(C)C)[C@](O)(c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
OPRL1 P41146 2/20 0.38
OPRM1 P35372 1/20 0.38
CCR2 P41597 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CHRNA7 P36544 1/20 0.37

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
SCHEMBL5244036 1.00 NPSR1 (0.43) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL337275 0.80 CCR2 (0.36) NPSR1MAPTMEN1KMT2ACCR2
SCHEMBL4668738 0.78 CHRM2 (0.45) NPSR1MAPTMEN1KMT2ALMNA
SCHEMBL11437597 0.76 CCR2 (0.34) OPRL1CCR2
SCHEMBL597190 0.75 CCR2 (0.33) CCR2
SCHEMBL27997618 0.73 CYP2A6 (0.38) LMNA
SCHEMBL4753780 0.73 CCR2 (0.35) LMNACCR2
SCHEMBL5605712 0.71 CCR2 (0.36) LMNACCR2MAPK1
SCHEMBL4647450 0.71 KCNA5 (0.33) MEN1KMT2ALMNACHRNA7
SCHEMBL25428324 0.71 CHRNB2 (0.34) CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012113889-A1 PROCESSES FOR THE STEREOSELECTIVE PREPARATION OF P-CHIRAL FOUR -COORDINATED PHOSPHORUS BORANE COMPOUNDS AND P-CHIRAL THREE-COORDINATED PHOSPHORUS COMPOUNDS UNIVERSITY COLLEGE DUBLIN (IE) 2012-08-30 WO disclosed