SCHEMBL21075587

SCHEMBL21075587

COC1(C(F)(F)F)CC(C(=O)O)N(C(C)=O)C1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.32
HSD11B1 P28845 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
SCHEMBL19083899 1.00 ATM (0.39) ATMSMN1; SMN2HSD11B1
SCHEMBL19083915 0.85 HSD11B1 (0.32) HSD11B1
SCHEMBL24021148 0.83 HSD17B10 (0.37) SMN1; SMN2HSD11B1
SCHEMBL20446616 0.83 HSD17B10 (0.37) SMN1; SMN2HSD11B1
SCHEMBL21075266 0.76 ATM (0.46) ATMSMN1; SMN2
SCHEMBL17428818 0.76 ATM (0.46) ATMSMN1; SMN2
SCHEMBL19083941 0.72 ATM (0.43) ATM
SCHEMBL21996628 0.71 PTPN1 (0.37) SMN1; SMN2HSD11B1
SCHEMBL23995713 0.70 TSHR (0.32) SMN1; SMN2
SCHEMBL23345231 0.70 TSHR (0.32) SMN1; SMN2

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-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 EP disclosed