SCHEMBL18083038

SCHEMBL18083038

COC(=O)C(CC(C)C)NC(=O)Nc1ccc(SC(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
FPR2 P25090 6/20 0.57
ANPEP P15144 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
GAA P10253 1/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL14903131 0.90 FPR2 (0.54) CA12CA1CA2CA9FPR2
SCHEMBL14902603 0.88 FPR2 (0.74) CA1CA2FPR2ANPEPTP53
SCHEMBL14948918 0.88 FPR2 (0.74) CA1CA2FPR2ANPEPTP53
SCHEMBL28348560 0.83 FPR2 (0.52) CA12CA1CA2CA9FPR2
SCHEMBL16738187 0.83 FPR2 (0.52) CA12CA1CA2CA9FPR2
SCHEMBL20484374 0.82 FPR2 (0.56) FPR2ANPEP
SCHEMBL14889891 0.82 FPR2 (0.56) FPR2ANPEP
SCHEMBL14902681 0.81 FPR2 (0.53) FPR2ANPEP
SCHEMBL20484126 0.81 FPR2 (0.53) FPR2ANPEP
SCHEMBL16588674 0.80 FPR2 (0.57) FPR2ANPEPTP53ALDH1A1LMNA

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-2776389-B1 ARYL UREA DERIVATIVES AS N-FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN INC (US) 2016-09-21 EP disclosed