SCHEMBL6580095

SCHEMBL6580095

COc1ccc(C(=O)Nc2ccc(O)c(C(C)=O)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.67
RAB9A P51151 10/20 0.67
TP53 P04637 6/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
ALOX15 P16050 1/20 0.67
ALDH1A1 P00352 4/20 0.63
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 1/20 0.61
GAA P10253 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
PKM P14618 2/20 0.61
KCNK9 Q9NPC2 1/20 0.59
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
F2 P00734 1/20 0.57

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
SCHEMBL6581663 0.86 MAPT (0.58) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL6580139 0.85 NPC1 (0.63) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL6582707 0.85 TRPV1 (0.52) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL16589419 0.84 NPC1 (0.69) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL6580244 0.84 NPC1 (0.64) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL13086314 0.83 NPC1 (0.67) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL6579798 0.83 NR1H4 (0.61) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL6582685 0.83 MAPT (0.63) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL6346820 0.82 KMT2A (0.65) NPC1RAB9ASMN1; SMN2ALOX15KMT2A
SCHEMBL21242880 0.82 NPC1 (0.65) NPC1RAB9ATP53SMN1; SMN2ALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716088-B1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL CO (JP) 2004-02-18 EP disclosed
US-5597929-A Production process of 2-(tetrazol-5-yl)-4-oxo-4H-benzopyran SUMITOMO CHEMICAL CO., LTD. (JP) 1997-01-28 US disclosed
EP-0716088-A1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-12 EP disclosed