SCHEMBL9829895

SCHEMBL9829895

CCOC(=O)CCN(CC(=O)O)c1c(F)cc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
LTA4H P09960 2/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.35
PLA2G2A P14555 1/20 0.35
BLM P54132 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ALOX5 P09917 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
TNF P01375 1/20 0.33
TSHR P16473 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL10407589 0.85 SMN1; SMN2 (0.43) SMN1; SMN2LTA4HLMNAPLA2G2ABLM
SCHEMBL10407586 0.83 SMN1; SMN2 (0.39) SMN1; SMN2LTA4HLMNACYP1A2ALDH1A1
SCHEMBL9832361 0.82 SMN1; SMN2 (0.41) SMN1; SMN2LTA4HCYP1A2PLA2G2ABLM
SCHEMBL9829465 0.81 SMN1; SMN2 (0.39) SMN1; SMN2LTA4HLMNACYP1A2PLA2G2A
SCHEMBL9831533 0.81 SMN1; SMN2 (0.42) SMN1; SMN2LTA4HLMNACYP1A2PLA2G2A
SCHEMBL10407363 0.81 SMN1; SMN2 (0.39) SMN1; SMN2LTA4HLMNACYP1A2ALDH1A1
SCHEMBL10407598 0.80 SMN1; SMN2 (0.44) SMN1; SMN2LTA4HLMNAALDH1A1ALOX5
SCHEMBL10408080 0.80 SMN1; SMN2 (0.46) SMN1; SMN2LMNACYP1A2ALDH1A1KDM4E
SCHEMBL10407520 0.79 SMN1; SMN2 (0.49) SMN1; SMN2LTA4HLMNAALOX5NPC1
SCHEMBL9830348 0.78 SMN1; SMN2 (0.39) SMN1; SMN2LTA4HLMNAALDH1A1ALOX5

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