SCHEMBL640945

SCHEMBL640945

NC(=O)c1ccc(N2CCC(C(=O)O)CC2)cc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.53
SERPINE1 P05121 3/20 0.46
SCN9A Q15858 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
PTGES O14684 1/20 0.43
PDK2 Q15119 1/20 0.42
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
RPS6KB1 P23443 1/20 0.40
DEGS1 O15121 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ABL1 P00519 1/20 0.39
LMNA P02545 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
SCHEMBL641081 0.90 FFAR4 (0.55) NOTUMSCN9AFFAR4PTGESPDK2
SCHEMBL641984 0.86 NOTUM (0.50) NOTUMSCN9AFFAR4
SCHEMBL642235 0.82 NOTUM (0.48) NOTUMSCN9AFFAR4KDM4E
SCHEMBL1817248 0.79 NOTUM (0.60) NOTUMSERPINE1FFAR4PDK2
SCHEMBL2071701 0.78 NOTUM (0.83) NOTUMSERPINE1FFAR4PDK2POLB
SCHEMBL642432 0.76 NOTUM (0.48) NOTUMSCN9APOLB
SCHEMBL31343287 0.76 NOTUM (0.53) NOTUMSERPINE1FFAR4POLBCYP2C9
SCHEMBL28751454 0.72 CTNNB1 (0.59) SCN9ACYP2C19KDM4E
SCHEMBL21180892 0.71 NOTUM (0.67) NOTUMSERPINE1PDK2CYP2C9CYP2C19
SCHEMBL13630728 0.71 NOTUM (0.58) NOTUMFFAR4PDK2

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-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed