SCHEMBL9829465

SCHEMBL9829465

CCOC(=O)CCN(CC(=O)O)c1cc(F)c(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.35
LTA4H P09960 2/20 0.34
ALOX5 P09917 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
TNF P01375 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
NLRP3 Q96P20 1/20 0.32
PLA2G2A P14555 1/20 0.32
BLM P54132 1/20 0.32
KAT2B Q92831 1/20 0.32

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
SCHEMBL10407586 0.86 SMN1; SMN2 (0.39) SMN1; SMN2LMNACYP1A2LTA4HALOX5
SCHEMBL10407363 0.86 SMN1; SMN2 (0.39) SMN1; SMN2LMNACYP1A2LTA4HALOX5
SCHEMBL10407580 0.83 SMN1; SMN2 (0.47) SMN1; SMN2LTA4HALOX5CYP4F2CYP4A11
SCHEMBL10407598 0.83 SMN1; SMN2 (0.44) SMN1; SMN2LMNALTA4HALOX5CYP4F2
SCHEMBL9831533 0.81 SMN1; SMN2 (0.42) SMN1; SMN2LMNACYP1A2LTA4HALOX5
SCHEMBL9829895 0.81 SMN1; SMN2 (0.39) SMN1; SMN2LMNACYP1A2LTA4HALOX5
SCHEMBL10407312 0.81 SMN1; SMN2 (0.42) SMN1; SMN2LMNALTA4HALOX5CYP4F2
SCHEMBL10407589 0.80 SMN1; SMN2 (0.43) SMN1; SMN2LMNALTA4HALOX5CYP4F2
SCHEMBL9829786 0.78 SMN1; SMN2 (0.39) SMN1; SMN2CYP1A2LTA4HALOX5CYP4F2
SCHEMBL9829362 0.78 SMN1; SMN2 (0.39) SMN1; SMN2LTA4HALOX5CYP4F2CYP4A11

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP claimed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO claimed
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP disclosed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO disclosed
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