SCHEMBL10693651

SCHEMBL10693651

Cc1nc(=O)oc2cc(C(=O)CCCO)ccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 5/20 0.36
WNT3A P56704 5/20 0.36
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KCNA3 P22001 1/20 0.33
POLB P06746 2/20 0.33
MAOB P27338 1/20 0.33
HPGD P15428 2/20 0.33
TTR P02766 2/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL10693672 0.89 CTNNB1 (0.35) CTNNB1WNT3AIKBKETBK1MEN1
SCHEMBL10692247 0.88 HPGD (0.43) CTNNB1WNT3AMEN1KMT2AHPGD
SCHEMBL10695779 0.75 ALDH1A1 (0.49) MEN1KMT2APOLBMAOBHPGD
SCHEMBL10693284 0.74 IKBKE (0.37) IKBKETBK1MEN1KMT2APOLB
SCHEMBL10693571 0.74 TTR (0.45) MEN1KMT2APOLBHPGDTTR
SCHEMBL10691949 0.69 MAPT (0.52) MEN1KMT2APOLBMAOBALDH1A1
SCHEMBL9367537 0.68 ALDH1A1 (0.58) MEN1KMT2APOLBHPGDKDM4E
SCHEMBL10693671 0.68 MAOB (0.53) MEN1KMT2AMAOB
SCHEMBL9368699 0.68 KDM4E (0.68) POLBKDM4EALDH1A1
SCHEMBL16806149 0.67 HSD17B3 (0.55) MEN1KMT2AHPGDALDH1A1MAPT

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
US-4778792-A Use of 7-acyl benzoxazinones and their derivatives in treating atheromatous disorders LABORATORIES NEGMA (FR) 1988-10-18 US disclosed