SCHEMBL10407366

SCHEMBL10407366

CCOC(=O)CCN(CC(=O)O)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
ALOX5 P09917 1/20 0.41
LTA4H P09960 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
NLRP3 Q96P20 1/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
TOP2A P11388 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL10407495 0.90 SMN1; SMN2 (0.42) SMN1; SMN2ALOX5LTA4HTDP1CYP4F2
SCHEMBL9829742 0.86 SMN1; SMN2 (0.49) SMN1; SMN2ALOX5LTA4HTDP1CYP4F2
SCHEMBL9829362 0.85 SMN1; SMN2 (0.39) SMN1; SMN2ALOX5LTA4HTDP1CYP4F2
SCHEMBL10407538 0.85 HPGD (0.41) SMN1; SMN2ALOX5TDP1CYP4F2CYP4A11
SCHEMBL10408297 0.85 HPGD (0.41) SMN1; SMN2TDP1ALDH1A1
SCHEMBL10407580 0.84 SMN1; SMN2 (0.47) SMN1; SMN2ALOX5LTA4HTDP1CYP4F2
SCHEMBL10408046 0.84 SMN1; SMN2 (0.47) SMN1; SMN2ALOX5LTA4HTDP1CYP4F2
SCHEMBL9831313 0.83 TDP1 (0.49) SMN1; SMN2ALOX5LTA4HTDP1CYP4F2
SCHEMBL9832157 0.82 SMN1; SMN2 (0.60) SMN1; SMN2ALOX5LTA4HCYP4F2CYP4A11
SCHEMBL9831853 0.82 SMN1; SMN2 (0.44) SMN1; SMN2ALOX5LTA4HTDP1CYP4F2

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-4925939-A 6,7-dihydropyrrol[3,4-c]pyrido[2,3-d]pyrimidine derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-05-15 US disclosed