SCHEMBL8324520

SCHEMBL8324520

COC(=O)c1ccc2[nH]c(CCCCc3ccccc3)c(C)c2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
ATM Q13315 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 1/20 0.49
KIF11 P52732 2/20 0.48
CYP4A11 Q02928 3/20 0.47
CYP4F2 P78329 2/20 0.47
HCRTR1 O43613 2/20 0.46
ALOX5 P09917 1/20 0.46
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR84 Q9NQS5 1/20 0.45
FLT3 P36888 1/20 0.43

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
SCHEMBL8318727 0.88 KDM4E (0.56) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL7350953 0.77 HCRTR1 (0.50) MEN1KMT2AATMRAB9ANPC1
SCHEMBL11406941 0.74 KDM4E (0.57) MEN1KMT2AATML3MBTL1ALDH1A1
SCHEMBL10980413 0.74 KDM4E (0.57) MEN1KMT2AATML3MBTL1ALDH1A1
SCHEMBL18941101 0.74 HCRTR1 (0.73) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL2404460 0.74 CYP4A11 (0.73) RAB9ANPC1CYP4A11CYP4F2MAPT
SCHEMBL7191192 0.74 ALDH1A1 (0.60) MEN1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL7416657 0.73 MEN1 (0.65) MEN1KMT2AATML3MBTL1RAB9A
SCHEMBL16010982 0.73 CYP4A11 (0.53) MEN1KMT2AALDH1A1HPGDCYP4A11
SCHEMBL28063129 0.72 KIF11 (0.70) MEN1KMT2AATML3MBTL1RAB9A

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-0888327-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1999-01-07 EP disclosed
WO-1997034885-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-09-25 WO disclosed