SCHEMBL8769760

SCHEMBL8769760

CCCCCC(C)(C)c1ccc(C(=O)Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.49
CNR1 P21554 5/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL448815 0.85 RARB (0.50) CNR2
SCHEMBL5486023 0.83 TP53 (0.53) CNR2CNR1
SCHEMBL446032 0.82 CNR2 (0.48) CNR2CNR1HDAC3HDAC1HDAC2
SCHEMBL22155358 0.82 CNR2 (0.55) CNR2CNR1HDAC3HDAC1HDAC2
Hexane SCHEMBL28364055 0.82 HSD17B3 (0.50)
SCHEMBL9301233 0.81 SRD5A2 (0.47) CNR2CNR1HDAC3HDAC1HDAC2
SCHEMBL11615735 0.80 NPC1 (0.45) CNR2HDAC3HDAC1HDAC2
Octane SCHEMBL29136411 0.80 HSD17B3 (0.52)
Heptane SCHEMBL28421239 0.80 HSD17B3 (0.52)
SCHEMBL6650215 0.80 CNR2 (0.49) CNR2CNR1

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
EP-0659738-B1 N-(Carbonyl, carbonimidoyl, carbonothioyl) sulfonamide charge control agents and toners and developers EASTMAN KODAK CO (US) 1997-09-10 EP disclosed
US-5616797-A USED IN ELECTROPHOTOGRAPHY EASTMAN KODAK COMPANY (US) 1997-04-01 US disclosed
EP-0659738-A1 N-(Carbonyl, carbonimidoyl, carbonothioyl) sulfonamide charge control agents and toners and developers EASTMAN KODAK COMPANY (US) 1995-06-28 EP disclosed
US-5405727-A Electrophotography EASTMAN KODAK COMPANY (US) 1995-04-11 US disclosed