SCHEMBL8322382

SCHEMBL8322382

O=C(NCOCc1ccccc1)c1ccc2c(c1)CCO2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NPC1 O15118 5/20 0.52
KLF5 Q13887 2/20 0.51
TAS1R3 Q7RTX0 3/20 0.49
TAS1R1 Q7RTX1 3/20 0.49
PKM P14618 1/20 0.49
PAX8 Q06710 1/20 0.49
POLB P06746 1/20 0.48
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
ACHE P22303 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
PRKCI P41743 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
SCHEMBL8317337 0.93 CTNNB1 (0.56) RAB9AHPGDHSD17B10NPC1KLF5
SCHEMBL1922938 0.80 TAS1R3 (0.59) RAB9AHPGDHSD17B10NPC1TAS1R3
SCHEMBL7439487 0.79 KMT2A (0.53) RAB9AHPGDNPC1POLBCTNNB1
SCHEMBL13702300 0.76 TAS1R3 (0.66) RAB9AHPGDHSD17B10NPC1TAS1R3
SCHEMBL8891147 0.75 SMN1; SMN2 (0.65) RAB9AHPGDNPC1ALDH1A1
SCHEMBL1395940 0.74 TAS1R3 (0.63) RAB9ANPC1TAS1R3TAS1R1POLB
SCHEMBL12462065 0.74 TAS1R3 (0.56) RAB9AHPGDNPC1KLF5TAS1R3
SCHEMBL8454439 0.74 TAS1R3 (0.67) RAB9AHPGDNPC1KLF5TAS1R3
SCHEMBL3493719 0.73 RAB9A (0.53) RAB9AHPGDHSD17B10NPC1TAS1R3
SCHEMBL6240169 0.71 GAA (0.56) RAB9ANPC1PKM

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 claimed
WO-1997034885-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-09-25 WO claimed