SCHEMBL9724883

SCHEMBL9724883

CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.71
▸ ALDH1A1 P00352 1/20 0.71
▸ LMNA P02545 1/20 0.71
▸ MAPT P10636 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ ATP4A P20648 1/20 0.61
▸ ATP4B P51164 1/20 0.61

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
SCHEMBL9724870 0.83 ATP4A (0.63) ATP4AATP4B
SCHEMBL9506528 0.83 ATP4A (0.70) ATP4AATP4B
SCHEMBL9510196 0.81 ATP4A (0.63) ATP4AATP4B
SCHEMBL9506500 0.81 ATP4A (0.63) ATP4AATP4B
SCHEMBL9725010 0.81 ATP4A (0.67) ATP4AATP4B
Hydrochloric Acid SCHEMBL9506481 0.81 ATP4A (0.62) ATP4AATP4B
SCHEMBL9509997 0.80 ATP4A (0.72) ATP4AATP4B
SCHEMBL9506430 0.79 ATP4A (0.65) ATP4AATP4B
SCHEMBL9652118 0.78 ATP4A (0.86) ATP4AATP4B
SCHEMBL9510099 0.77 ATP4A (0.73) ATP4AATP4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5082848-A Gastrointestinal disorders SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) 1992-01-21 — — US claimed
EP-0331357-A1 4-Amino-3-acylquinoline derivatives and their use as inhibitors of gastric secretion SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-09-06 — — EP claimed
US-5082848-A Gastrointestinal disorders SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) 1992-01-21 — — US disclosed
EP-0331357-A1 4-Amino-3-acylquinoline derivatives and their use as inhibitors of gastric secretion SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-09-06 — — EP disclosed
Send feedback