SCHEMBL9829537

SCHEMBL9829537

CCCN1CC(=O)C(C(=O)OCC)C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TLR4 O00206 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9831742 0.91 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9831234 0.87 CHRM2 (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9830385 0.82 MAPT (0.49) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1426015 0.81 MAPT (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9829971 0.79 MAPT (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL183706 0.77 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AKDM4ECHRM2
SCHEMBL9830344 0.77 S1PR1 (0.46) ALDH1A1MEN1KMT2AKDM4EGAA
Hydrochloric Acid SCHEMBL183705 0.76 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AKDM4ECHRM2
SCHEMBL21358281 0.76 MAPT (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL15177080 0.76 MAPT (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E

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