SCHEMBL4474532

SCHEMBL4474532

Oc1cc(-c2ccc(C3CC[CH]CC3)cc2)[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.37
NOTUM Q6P988 2/20 0.37
KMT2A Q03164 2/20 0.37
HSP90AA1 P07900 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TNIK Q9UKE5 2/20 0.35
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.33
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32

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
SCHEMBL4935344 0.77 DGAT1 (0.53)
SCHEMBL7997971 0.70 RAB9A (0.63) KMT2AGAAMAPTTDP1TNIK
SCHEMBL4330968 0.70 PRMT5 (0.44) TNIK
SCHEMBL18218782 0.70 SMN1; SMN2 (0.61) KMT2AHSP90AA1GAAMAPTTNIK
SCHEMBL1531261 0.70 MKNK1 (0.61) KMT2AGAAMAPTTDP1RAB9A
SCHEMBL5837879 0.70 AXL (0.58) KMT2ATNIKRAB9APOLBNPC1
SCHEMBL27944787 0.70 KMT2A (0.61) KMT2AGAAMAPTTNIKRAB9A
SCHEMBL8716435 0.69 RAB9A (0.56) KMT2ATDP1RAB9ANPC1MEN1
SCHEMBL27414381 0.69 RAB9A (0.56) KMT2ATDP1RAB9ANPC1MEN1
SCHEMBL5704310 0.68 ESR2 (0.61)

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-2117526-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2009-11-18 EP claimed
WO-2008067257-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-06-05 WO claimed
EP-2117526-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2009-11-18 EP disclosed
WO-2008067257-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-06-05 WO disclosed