SCHEMBL9749627

SCHEMBL9749627

CC[C@H](CC(=O)O)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
FFAR3 O14843 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GPR84 Q9NQS5 4/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
GABRR1 P24046 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL5892320 1.00 SLC22A6 (0.38) SLC22A6TDP1FFAR3SMN1; SMN2GPR84
SCHEMBL21441509 1.00 SLC22A6 (0.38) SLC22A6TDP1FFAR3SMN1; SMN2GPR84
SCHEMBL17772927 0.87 SLC22A6 (0.43) SLC22A6TDP1FFAR3SMN1; SMN2GPR84
SCHEMBL22468330 0.81 GABRP (0.43) FFAR3
SCHEMBL5427930 0.81 FOLH1 (0.46)
SCHEMBL31465281 0.80 SLC22A6 (0.38) SLC22A6TDP1FFAR3SMN1; SMN2GPR84
SCHEMBL3011397 0.80 TDP1 (0.42) TDP1ALDH1A1
SCHEMBL21226031 0.78 SLC22A6 (0.36) SLC22A6TDP1SMN1; SMN2ALDH1A1GAA
SCHEMBL11668668 0.78 ALDH1A1 (0.39) TDP1ALDH1A1
SCHEMBL3627109 0.78 TDP1 (0.45) TDP1

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