SCHEMBL7654469

SCHEMBL7654469

CCOC(=O)C[C@H](NCc1cccc2ccccc12)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KMT2A Q03164 2/20 0.47
HPGD P15428 2/20 0.45
TACR1 P25103 1/20 0.44
CDC25B P30305 2/20 0.44
PSMB5 P28074 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
ANPEP P15144 1/20 0.42
CDC25A P30304 1/20 0.41
CDC25C P30307 1/20 0.41

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
SCHEMBL7651872 1.00 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1KMT2AHPGD
SCHEMBL16079372 0.79 PPID (0.54) ALDH1A1KMT2AATMMAPT
SCHEMBL1731885 0.78 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1KMT2AHPGD
SCHEMBL16077521 0.78 MEN1 (0.48) ALDH1A1TDP1KMT2AL3MBTL1
SCHEMBL7651877 0.76 TDP1 (0.52) ALDH1A1KDM4ETDP1KMT2APSMB5
SCHEMBL7654481 0.76 TDP1 (0.52) ALDH1A1KDM4ETDP1KMT2APSMB5
SCHEMBL16839711 0.75 TOP2A (0.52) ALDH1A1KDM4EKMT2AHPGDATM
SCHEMBL845701 0.75 KMT2A (0.62) ALDH1A1KDM4ETDP1KMT2AHPGD
SCHEMBL29729685 0.75 KMT2A (0.62) ALDH1A1KDM4ETDP1KMT2AHPGD
SCHEMBL9554924 0.74 MME (0.48) ALDH1A1KDM4ETDP1KMT2AHPGD

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
US-6384061-B1 HYDANTOIN COMPOUNDS REPRESENTED BY FORMULA (I) WHICH SHOWS AN INHIBITORY ACTIVITY AGAINST FARNESYL TRANSFERASE, AND THUS CAN BE USED AS AN ANTI-CANCER AGENT, OR PHARMACEUTICALLY ACCEPTABLE SALTS LG CHEMICAL LTD. (KR) 2002-05-07 US disclosed
EP-1000036-A1 HYDANTOIN DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE LG CHEMICAL LIMITED (KR) 2000-05-17 EP disclosed
WO-1999005117-A1 HYDANTOIN DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE LG CHEMICAL LTD. (KR) 1999-02-04 WO disclosed