SCHEMBL154686

SCHEMBL154686

Cc1cc(CO)nc2cc3c(cc12)OC(C)(C)[C@H](O)C3

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
PTPN1 P18031 1/20 0.42
ACHE P22303 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 3/20 0.32
HPGD P15428 2/20 0.32
MAPK1 P28482 2/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL22173857 1.00 HIF1A (0.42) HIF1AMGAMGAASIPTPN1
SCHEMBL14765563 0.82 MGAM (0.43) HIF1AMGAMGAASIPTPN1
SCHEMBL13094003 0.82 MGAM (0.43) HIF1AMGAMGAASIPTPN1
SCHEMBL22174023 0.72 CYP4F2 (0.31) ALDH1A1HPGDKDM4E
SCHEMBL139387 0.71
SCHEMBL13093942 0.70 PTPN1 (0.48) HIF1AMGAMGAASIPTPN1
SCHEMBL2869871 0.70 IDO1 (0.37)
SCHEMBL2878691 0.69 ACHE (0.37) HIF1AMGAMGAASIPTPN1
SCHEMBL25373810 0.68 ABCB1 (0.42) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL113139 0.68 ABCB1 (0.42) ALDH1A1HPGDKDM4EHSD17B10

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
EP-2426133-A1 NOVEL CRYSTAL FORMS OF TRICYCLIC BENZOPYRAN COMPOUND AND PROCESSES FOR PRODUCING SAME Nissan Chemical Industries, Ltd. (JP) 2012-03-07 EP disclosed