SCHEMBL5264091

SCHEMBL5264091

CC(C)(C)C(=O)Nc1cc(C(=O)O)ccc1NCC1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 4/20 0.58
HCAR3 P49019 1/20 0.43
BRD4 O60885 2/20 0.42
TTK P33981 4/20 0.41
LIPC P11150 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
NPC1 O15118 2/20 0.40
ALOX12 P18054 1/20 0.40
PTGER4 P35408 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL3998287 0.89 KDM4E (0.54) CREBBPBRD4TTKNPC1PTGER4
SCHEMBL3995887 0.85 CREBBP (0.43) CREBBPLIPCLIPG
SCHEMBL1608768 0.83 CREBBP (0.44) CREBBPBRD4KDM4E
SCHEMBL3997595 0.82 ALDH1A1 (0.48) CREBBPBRD4NPC1PDK1PDK2
SCHEMBL23978061 0.76 HCAR3 (0.70) HCAR3NPC1MEN1KMT2A
SCHEMBL4003424 0.75 LIPC (0.43) CREBBPLIPCLIPGNPC1PTGER4
SCHEMBL28613837 0.74 CREBBP (1.00) CREBBP
SCHEMBL13605696 0.74 HDAC3 (0.39) CREBBPTTKNPC1MEN1KMT2A
SCHEMBL1609240 0.73 CNR2 (0.44) CREBBPBRD4MEN1KMT2A
SCHEMBL30394441 0.73 KCNH3 (0.46) CREBBPHCAR3KMT2A

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
EP-1809607-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES Pfizer, Inc. (US) 2007-07-25 EP disclosed
WO-2006048754-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES PFIZER JAPAN INC. (JP) 2006-05-11 WO disclosed