SCHEMBL21597899

SCHEMBL21597899

CC(CCCCNC(=O)C(F)(F)F)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
ALDH1A1 P00352 2/20 0.62
POLB P06746 1/20 0.62
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
EPHX1 P07099 1/20 0.56
CA3 P07451 2/20 0.55
CA5A P35218 2/20 0.55
CA5B Q9Y2D0 2/20 0.55
CA14 Q9ULX7 2/20 0.55
CA12 O43570 1/20 0.55
CA2 P00918 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
LTA4H P09960 1/20 0.42
BLM P54132 1/20 0.42
ACE2 Q9BYF1 1/20 0.40
GABRR1 P24046 2/20 0.38

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
SCHEMBL16574793 1.00 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL4530231 0.84 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL19769248 0.82 MEN1 (0.70) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL10482852 0.81 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL10482849 0.81 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL875166 0.79 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL20299719 0.79 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL1604188 0.79 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL6033129 0.79 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL27889238 0.79 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1POLBMEN1KMT2A

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
WO-2019243825-A1 SMALL MOLECULE MODULATORS OF HUMAN STING, CONJUGATES AND THERAPEUTIC APPLICATIONS CURADEV PHARMA LIMITED (GB) 2019-12-26 WO disclosed