SCHEMBL19387643

SCHEMBL19387643

C=CC(=O)N1CCC(c2cccc(CNC(=O)OC(C)(C)C)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 5/20 0.46
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
ROCK2 O75116 1/20 0.41
NAMPT P43490 1/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.40
CHRM4 P08173 1/20 0.40
BTK Q06187 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
TEAD3 Q99594 1/20 0.40
EGFR P00533 1/20 0.40
TACR1 P25103 1/20 0.40
TPSAB1 Q15661 1/20 0.39
GLS O94925 1/20 0.39

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
SCHEMBL13830591 0.88 QDPR (0.45) ROCK2NAMPTBRD4CREBBPLMNA
SCHEMBL30531024 0.85 BRD4 (0.48) HDAC1ROCK2NAMPTBRD4CREBBP
SCHEMBL3509882 0.85 BRD4 (0.48) HDAC1ROCK2NAMPTBRD4CREBBP
SCHEMBL15866724 0.84 ACHE (0.49) TPSAB1
SCHEMBL1668574 0.83 ACKR3 (0.43) NAMPTEGFR
SCHEMBL14898051 0.83 MEN1 (0.43) ROCK2NAMPTBRD4CREBBPLMNA
SCHEMBL12801527 0.83 BCHE (0.45)
SCHEMBL13835321 0.83 BCHE (0.45)
SCHEMBL25048390 0.83 BRD4 (0.47) ROCK2NAMPTBRD4CREBBPGLS
SCHEMBL25358558 0.83 GLS (0.48) HDAC1ROCK2NAMPTBRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed