SCHEMBL11322282

SCHEMBL11322282

CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(O)c(C(=O)NNC(=O)CCCCCCCCCCC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.58
EGFR P00533 9/20 0.58
HDAC4 P56524 9/20 0.58
HDAC1 Q13547 9/20 0.58
HDAC7 Q8WUI4 9/20 0.58
HDAC2 Q92769 9/20 0.58
HDAC10 Q969S8 9/20 0.58
HDAC11 Q96DB2 9/20 0.58
HDAC8 Q9BY41 9/20 0.58
HDAC6 Q9UBN7 9/20 0.58
HDAC9 Q9UKV0 9/20 0.58
HDAC5 Q9UQL6 9/20 0.58
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
PSMB11 A5LHX3 1/20 0.54
PSMA7 O14818 1/20 0.54
PSMB1 P20618 1/20 0.54

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
SCHEMBL11200379 0.88 HDAC3 (0.59) HDAC3EGFRHDAC4HDAC1HDAC7
SCHEMBL11216552 0.88 HDAC3 (0.59) HDAC3EGFRHDAC4HDAC1HDAC7
SCHEMBL11212802 0.88 HDAC3 (0.59) HDAC3EGFRHDAC4HDAC1HDAC7
SCHEMBL11218084 0.88 HDAC3 (0.59) HDAC3EGFRHDAC4HDAC1HDAC7
SCHEMBL11203184 0.88 HDAC3 (0.59) HDAC3EGFRHDAC4HDAC1HDAC7
SCHEMBL11214314 0.87 HDAC3 (0.57) HDAC3EGFRHDAC4HDAC1HDAC7
SCHEMBL10954456 0.85 KDM4C (0.60) HDAC3EGFRHDAC4HDAC1HDAC7
SCHEMBL16131268 0.85 KDM4C (0.60) HDAC3EGFRHDAC4HDAC1HDAC7
SCHEMBL10601781 0.85 KDM4C (0.60) HDAC3EGFRHDAC4HDAC1HDAC7
SCHEMBL10954583 0.85 KDM4C (0.60) HDAC3EGFRHDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4306930-A INCORPORATING A HYDRAZIDE OR DIHYDRAZIDE AND THEN VULCANIZING IN CONTACT WITH A METAL CIBA-GEIGY CORPORATION (US) 1981-12-22 US disclosed
US-4077948-A N-SALICYLIDENE-N*-SALICYLHYDRAZIDES CIBA-GEIGY CORPORATION (US) 1978-03-07 US disclosed