SCHEMBL9832767

SCHEMBL9832767

CCOC(=O)CCN(CC(=O)OCC)c1ccc(OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.62
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LTA4H P09960 2/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
GLA P06280 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL10686678 0.93 PPARG (0.53) PPARGALOX15SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL15483651 0.90 PPARG (0.63) PPARGALOX15SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL15004697 0.90 PPARG (0.62) PPARGALOX15SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9831770 0.86 PPARG (0.50) PPARGALOX15SMN1; SMN2ALDH1A1TSHR
SCHEMBL9831443 0.85 PPARG (0.50) PPARGSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL16171348 0.84 PPARG (0.57) PPARGALOX15SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8031629 0.84 PPARG (0.64) PPARGALOX15SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9831449 0.84 SMN1; SMN2 (0.61) PPARGSMN1; SMN2ALDH1A1L3MBTL1LTA4H
SCHEMBL15004937 0.83 PPARG (0.56) PPARGALOX15SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL10395065 0.81 PPARG (0.44) PPARGALOX15SMN1; SMN2ALDH1A1L3MBTL1

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 3 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 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