SCHEMBL20654098

SCHEMBL20654098

CCC1CCCC(C)C(=O)N1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
KMT2A Q03164 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
ALDH1A1 P00352 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL5453501 0.88 BRD4 (0.33) BRD4CREBBPDPP4DPP8DPP7
SCHEMBL19730067 0.77 KMT2A (0.39) CA1CA2CA4KMT2A
SCHEMBL1937119 0.77
SCHEMBL24535856 0.77
SCHEMBL23477820 0.74 POLB (0.49) CYP2C9CYP2C19
SCHEMBL83355 0.74 TSHR (0.42) CA1CA2CA4KMT2ACYP2C9
SCHEMBL83973 0.74 TSHR (0.42) CA1CA2CA4KMT2ACYP2C9
SCHEMBL83972 0.74 TSHR (0.42) CA1CA2CA4KMT2ACYP2C9
SCHEMBL83354 0.74 TSHR (0.42) CA1CA2CA4KMT2ACYP2C9
SCHEMBL83353 0.74 TSHR (0.42) CA1CA2CA4KMT2ACYP2C9

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
EP-3427737-A1 SANGLIFEHRIN DERIVATIVES AND METHODS FOR THEIR PRODUCTION NeuroVive Pharmaceutical AB (SE) 2019-01-16 EP disclosed