SCHEMBL9830218

SCHEMBL9830218

CCOC(=O)C1CN(c2cccc(C)c2)CC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TSHR P16473 1/20 0.50
NOTUM Q6P988 1/20 0.45
HTT P42858 1/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
GPR119 Q8TDV5 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
SCHEMBL9830737 0.89 ALDH1A1 (0.47) ALDH1A1TSHRNOTUMHTTMAPT
SCHEMBL9832163 0.88 ALDH1A1 (0.47) ALDH1A1TSHRMAPTLMNAMEN1
SCHEMBL9830609 0.88 LMNA (0.42) ALDH1A1TSHRHTTMAPTLMNA
SCHEMBL9831793 0.88 ALDH1A1 (0.47) ALDH1A1TSHRMAPTLMNAKDM4E
SCHEMBL9829085 0.87 ALDH1A1 (0.46) ALDH1A1TSHRHTTMAPTLMNA
SCHEMBL9831481 0.87 ALDH1A1 (0.43) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL861735 0.84 ALDH1A1 (0.45) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL9832750 0.84 ALDH1A1 (0.48) ALDH1A1TSHRHTTMAPTLMNA
SCHEMBL9829380 0.81 ALDH1A1 (0.45) ALDH1A1TSHRHTTMAPTMEN1
SCHEMBL9833258 0.81 MAPT (0.55) ALDH1A1TSHRNOTUMHTTMAPT

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