SCHEMBL7465394

SCHEMBL7465394

Nc1ccccc1C(=O)CCN1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
MAPT P10636 5/20 0.64
KMT2A Q03164 4/20 0.64
LMNA P02545 2/20 0.52
MPI P34949 1/20 0.52
CYP2C19 P33261 1/20 0.52
ABCB1 P08183 1/20 0.49
EGFR P00533 1/20 0.49
HSP90AA1 P07900 1/20 0.49
TP53 P04637 1/20 0.49
ALDH3A1 P30838 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
HTR7 P34969 1/20 0.47

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
SCHEMBL7470056 0.86 ALDH1A1 (0.59) ALDH1A1MAPTKMT2ALMNAABCB1
SCHEMBL7459969 0.85 ALDH1A1 (0.62) ALDH1A1MAPTKMT2AABCB1EGFR
Romifenone SCHEMBL2109098 0.84 ALDH1A1 (0.66) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL12123783 0.82 ALDH1A1 (0.64) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL12123807 0.82 ALDH1A1 (0.64) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL12123820 0.82 KMT2A (0.64) ALDH1A1MAPTKMT2ALMNAMPI
Hydrochloric Acid SCHEMBL7930415 0.81 ALDH1A1 (0.65) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL17177575 0.80 ALDH1A1 (0.61) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL12123784 0.80 ALDH1A1 (0.70) ALDH1A1MAPTKMT2ACNR1CNR2
SCHEMBL12123822 0.79 KMT2A (0.59) ALDH1A1MAPTKMT2ALMNAMPI

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-0802915-B1 CAMPTOTHECIN DERIVATIVES AND ITS MANUFACTURING METHOD CHONG KUN DANG CORP (KR) 2002-12-04 EP disclosed
US-6265413-B1 WATER SOLUBILITY; ANTICARCINOGENIC AGENTS CHONG KUN DANG CORP. (KR) 2001-07-24 US disclosed
US-6177568-B1 ANTINEOPLASTIC AGENTS CHONG KUN DANG CORP. (KR) 2001-01-23 US disclosed
EP-0802915-A1 CAMPTOTHECIN DERIVATIVES AND ITS MANUFACTURING METHOD CHONG KUN DANG CORP (KR) 1997-10-29 EP disclosed
WO-1996021666-A1 CAMPTOTHECIN DERIVATIVES AND ITS MANUFACTURING METHOD CHONG KUN DANG CORPORATION (KR) 1996-07-18 WO disclosed