SCHEMBL7459969

SCHEMBL7459969

Nc1ccccc1C(=O)CCN1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
KMT2A Q03164 4/20 0.62
GFER P55789 1/20 0.60
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HSD17B10 Q99714 1/20 0.57
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.50
ABCB1 P08183 3/20 0.49
MAPT P10636 1/20 0.49
EGFR P00533 2/20 0.48
HSP90AA1 P07900 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 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 0.98 ALDH1A1 (0.59) ALDH1A1KMT2AGFERCYP1A2CYP2D6
SCHEMBL7465394 0.85 ALDH1A1 (0.64) ALDH1A1KMT2AABCB1MAPTEGFR
SCHEMBL12123638 0.81 ALDH1A1 (0.70) ALDH1A1KMT2AGFERCYP1A2CYP2D6
SCHEMBL12123634 0.81 ALDH1A1 (0.62) ALDH1A1KMT2AGFERCYP1A2CYP2D6
SCHEMBL10851708 0.79 ALDH1A1 (0.61) ALDH1A1KMT2AGFERCYP1A2CYP2D6
SCHEMBL11277010 0.78 KDM4E (0.61) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL10512022 0.78 KMT2A (0.69) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL10512031 0.78 KMT2A (0.69) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL12123644 0.78 ALDH1A1 (0.57) ALDH1A1KMT2AGFERCYP1A2CYP2D6
SCHEMBL5356971 0.77 ALDH1A1 (1.00) ALDH1A1KMT2AGFERPOLBMEN1

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 4 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
WO-1996021666-A1 CAMPTOTHECIN DERIVATIVES AND ITS MANUFACTURING METHOD CHONG KUN DANG CORPORATION (KR) 1996-07-18 WO disclosed