SCHEMBL9672115

SCHEMBL9672115

COc1ncc(Cl)cc1CCC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
AGTR1 P30556 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL9674583 0.85 HSD11B1 (0.39) ALDH1A1AGTR1HPGDCYP1A2CYP3A4
SCHEMBL32689790 0.79 PLAU (0.55)
SCHEMBL10840357 0.74 SMN1; SMN2 (0.47) CYP3A4CYP2D6CYP2C19CYP2C9ALOX15
SCHEMBL9672814 0.73 SLC6A2 (0.41) CYP3A4CYP2D6CYP2C9SMN1; SMN2
SCHEMBL12467412 0.70 CYP2C9 (0.43) HPGDCYP2C9SMN1; SMN2PDE4D
SCHEMBL9672475 0.70 HSD11B1 (0.42) ALDH1A1AGTR1HPGDCYP1A2CYP3A4
SCHEMBL3952392 0.70 HPGD (0.62) ALDH1A1AGTR1HPGDKDM4E
SCHEMBL5783160 0.69 CYP2C9 (0.42) ALDH1A1CYP2C9KDM4ENPC1RAB9A
SCHEMBL30364398 0.69 LMNA (0.43) ALDH1A1HPGDCYP2C9NPC1RAB9A
SCHEMBL28942777 0.69 LMNA (0.43) ALDH1A1HPGDCYP2C9NPC1RAB9A

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-0178633-B1 2-phenylpyrano[2,3-b]pyridines MERRELL DOW PHARMACEUTICALS INC. (US) 1992-01-08 EP disclosed
US-4588733-A 2-phenylpyrano[2,3-b]pyridines and their use in inhibiting viruses MERRELL DOW PHARMACEUTICALS INC. (US) 1986-05-13 US disclosed
EP-0178633-A2 2-phenylpyrano[2,3-b]pyridines MERRELL DOW PHARMACEUTICALS INC. (US) 1986-04-23 EP disclosed