SCHEMBL16685441

SCHEMBL16685441

CC[C@H](c1ccccc1)[C@](O)(CC)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 0.48
KMT2A Q03164 13/20 0.48
NPC1 O15118 1/20 0.45
LMNA P02545 2/20 0.44
ATM Q13315 3/20 0.42
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL1042579 0.84 MEN1 (0.45) MEN1KMT2ANPC1LMNAATM
SCHEMBL6930326 0.81 MEN1 (0.49) MEN1KMT2ANPC1LMNAATM
SCHEMBL6247835 0.81 LMNA (0.47) MEN1KMT2ANPC1LMNAATM
SCHEMBL8609442 0.79 LMNA (0.45) MEN1KMT2ANPC1LMNAPOLB
SCHEMBL3401038 0.79 LMNA (0.41) MEN1KMT2ANPC1LMNA
SCHEMBL11575081 0.78 LMNA (0.44) MEN1KMT2ANPC1LMNAATM
SCHEMBL7914381 0.77 CYP2C19 (0.46) MEN1KMT2ALMNA
Ammonia Solution, Strong SCHEMBL9711074 0.77 LMNA (0.47) MEN1KMT2ANPC1LMNAPOLB
Ammonia Solution, Strong SCHEMBL27615501 0.77 LMNA (0.42) MEN1KMT2ANPC1LMNASMN1; SMN2
SCHEMBL756001 0.77 LMNA (0.42) MEN1KMT2ANPC1LMNAPOLB

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-3063281-A2 PROCESS FOR THE CHIRAL RESOLUTION OF ACETATES TO (R)-ALCOHOLS EMPLOYING FUSARIUM PROLIFERATUM Council of Scientific and Industrial Research (IN) 2016-09-07 EP disclosed
WO-2015063796-A2 A PROCESS OF CHIRAL RESOLUTION OF CYCLIC AND ACYCLIC ACETATES TO ENANTIOMERICALLY PURE (R)--ALCOHOLS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-05-07 WO disclosed