SCHEMBL30708155

SCHEMBL30708155

CCOC(=O)n1cc(C(C)C(=O)OC)c2ccc(Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 7/20 0.42
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL25139928 1.00 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11373831 0.79 LMNA (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11369775 0.79 KDM4E (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24813004 0.77 AKR1C3 (0.51) LMNAL3MBTL1ALDH1A1TP53ALOX15
SCHEMBL30708130 0.77 AKR1C3 (0.51) LMNAL3MBTL1ALDH1A1TP53ALOX15
SCHEMBL369096 0.74 KMT2A (0.52) LMNAL3MBTL1ALDH1A1TSHRKDM4E
SCHEMBL17102820 0.73 KMT2A (0.57) LMNAL3MBTL1ALDH1A1NPSR1KDM4E
SCHEMBL3926759 0.73 MGLL (0.34) LMNAL3MBTL1ALDH1A1TP53TSHR
SCHEMBL30275171 0.70 L3MBTL1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20280298 0.69 LMNA (0.48) PSEN1PSEN2APH1BNCSTNAPH1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117561058-A CDK2 inhibitors and methods of use thereof 塞迪拉治疗股份有限公司 2024-02-13 CN disclosed