SCHEMBL8620982

SCHEMBL8620982

COC(=O)CCCCCCCCCCNC(=O)c1cc([N+](=O)[O-])c(Cl)cc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA4 P22748 5/20 0.43
CA6 P23280 5/20 0.43
CA7 P43166 5/20 0.43
CA9 Q16790 5/20 0.43
CA13 Q8N1Q1 5/20 0.43
CA14 Q9ULX7 5/20 0.43
CA5B Q9Y2D0 5/20 0.43
CA5A P35218 4/20 0.43
CA3 P07451 4/20 0.43
NPC1 O15118 2/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
HSP90AA1 P07900 1/20 0.38
CNR1 P21554 1/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL6573690 0.76 CYP3A4 (0.50) ALDH1A1CA12CA1CA2CA4
SCHEMBL9254961 0.76 NPC1 (0.50) ALDH1A1NPC1CYP3A4HPGDLMNA
SCHEMBL29950971 0.70 VCAM1 (0.46) ALDH1A1CA12CA9NPC1CYP3A4
SCHEMBL9247590 0.69 NPC1 (0.50) ALDH1A1NPC1CYP3A4HPGDLMNA
SCHEMBL7812037 0.69 NPC1 (0.52) ALDH1A1NPC1CYP3A4HPGDLMNA
SCHEMBL1232875 0.68 HDAC1 (0.70) ALDH1A1NPC1MAPTMAPK1SMN1; SMN2
SCHEMBL2977898 0.68 MEN1 (0.44) ALDH1A1NPC1CYP3A4HPGDLMNA
SCHEMBL15797962 0.67 PKM (0.48) LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL15797964 0.66 PKM (0.47) NPC1LMNAMAPTMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL9251441 0.65 LMNA (0.43) ALDH1A1NPC1CYP3A4HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0689092-B1 Photographic elements containing development accelerators and release compounds that release development inhibitors EASTMAN KODAK CO (US) 1998-01-14 EP disclosed
EP-0684512-B1 Photographic elements containing release compounds EASTMAN KODAK CO (US) 1997-12-17 EP disclosed
US-5567577-A COMPRISING A BLOCKING GROUP FROM WHICH THE PHOTOGRAPHICALLY ACTIVE MOIETY IS RELEASED, A BALLASTING GROUP AND AN AQUEOUS SOLUBILIZING GROUP EASTMAN KODAK COMPANY (US) 1996-10-22 US disclosed
EP-0689092-A1 Photographic elements containing development accelerators and release compounds that release development inhibitors EASTMAN KODAK COMPANY (US) 1995-12-27 EP disclosed
EP-0684512-A1 Photographic elements containing release compounds EASTMAN KODAK COMPANY (US) 1995-11-29 EP disclosed
US-5460932-A Controlling color balance EASTMAN KODAK COMPANY (US) 1995-10-24 US disclosed