SCHEMBL9830719

SCHEMBL9830719

CCOC(=O)CCNc1ccc(OC)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TDP1 Q9NUW8 2/20 0.49
GAA P10253 2/20 0.49
TSHR P16473 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
LMNA P02545 3/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.48
AHR P35869 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47

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
SCHEMBL9831522 0.90 GAA (0.53) ALDH1A1MAPTHPGDNPSR1TDP1
SCHEMBL9832645 0.83 GAA (0.56) ALDH1A1NPSR1GAATSHRKMT2A
SCHEMBL3210169 0.83 TDP1 (0.68) ALDH1A1MAPTHPGDTDP1GAA
SCHEMBL15477838 0.82 HPGD (0.52) ALDH1A1MAPTHPGDNPSR1TDP1
SCHEMBL6969519 0.81 MAPT (0.68) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL2225000 0.79 APLNR (0.60) ALDH1A1MAPTNPSR1TDP1TSHR
SCHEMBL2676181 0.79 TDP1 (0.58) ALDH1A1MAPTHPGDTDP1GAA
SCHEMBL11509277 0.79 TDP1 (0.57) ALDH1A1MAPTHPGDNPSR1TDP1
SCHEMBL3140172 0.79 MAPT (0.58) ALDH1A1MAPTGAAKMT2ANPC1
SCHEMBL7308078 0.77 KDM4E (0.51) ALDH1A1MAPTTDP1GAATSHR

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