SCHEMBL9750239

SCHEMBL9750239

CC(CN(C(=O)OCc1ccccc1)C(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ABCB1 P08183 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SLC15A1 P46059 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ACHE P22303 2/20 0.41
PTGER1 P34995 1/20 0.40
PTGER4 P35408 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
SCHEMBL10764164 1.00 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL13684205 0.83 ALDH1A1 (0.51) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL17956525 0.82 ALDH1A1 (0.50) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL6991879 0.82 ALDH1A1 (0.50) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL11071581 0.82 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL18154139 0.81 ALDH1A1 (0.49) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL12130679 0.81 KMT2A (0.50) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL9232077 0.80 ALDH1A1 (0.42) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL3861086 0.79 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL17747886 0.78 CCR6 (0.48) ALDH1A1L3MBTL1LMNAPOLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219852-B1 CHARTREUSIN DERIVATIVES, SALTS THEREOF, ANTITUMOROUS COMPOSITIONS CONTAINING THE SAME, AND PROCESSES FOR PRODUCING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-02-05 EP disclosed
US-5064945-A Antitumor Agents ISHIHARA SANGYO KAISHA, LTD. (JP) 1991-11-12 US disclosed
US-4927919-A ANTITUMOR AGENTS ISHIHARA SANGYO KAISHA, LTD. (JP) 1990-05-22 US disclosed
EP-0159708-B1 CHARTREUSIN DERIVATIVES, SALTS THEREOF, ANTITUMOROUS COMPOSITIONS CONTAINING THE SAME, AND PROCESSES FOR PRODUING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 1989-12-13 EP disclosed
US-4760136-A Chartreusin derivatives and salts thereof ISHIHARA SANGYO KAISHA, LTD. (JP) 1988-07-26 US disclosed
EP-0159708-A2 Chartreusin derivatives, salts thereof, antitumorous compositions containing the same, and processes for produing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1985-10-30 EP disclosed