SCHEMBL11166642

SCHEMBL11166642

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
CA2 P00918 1/20 0.36
RNPEP Q9H4A4 1/20 0.33
SLC7A5 Q01650 1/20 0.33
TP53 P04637 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
SCHEMBL11163798 0.81 FFAR3 (0.36) LTA4HALDH1A1TDP1RNPEPSLC7A5
SCHEMBL14753764 0.81 FFAR3 (0.36) LTA4HALDH1A1TDP1RNPEPSLC7A5
SCHEMBL6104183 0.79 RNPEP (0.33) LTA4HRNPEP
SCHEMBL9149071 0.78 MMP2 (0.38) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL9149065 0.78 MMP2 (0.38) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL11486177 0.78 ALDH1A1 (0.36) ALDH1A1TDP1CA2TP53
SCHEMBL10106488 0.78 ALDH1A1 (0.43) ALDH1A1TDP1MMP1MMP2MMP3
SCHEMBL8990012 0.77 TSHR (0.33) LTA4HALDH1A1TP53
SCHEMBL9303262 0.77 ALDH1A1 (0.40) LTA4HALDH1A1TP53
SCHEMBL17814865 0.77 LTA4H (0.36) LTA4HTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0014402-B1 NOVEL 20-0-ACYLMAYTANSINOIDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Chemical Industries, Ltd. (JP) 1983-07-20 EP disclosed
US-4361650-A BACILLUS, STREPTOMYCES OR ACTINOMYCES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-11-30 US disclosed
EP-0004466-B1 DEMETHYL MAYTANSINOIDS AND METHODS FOR PRODUCING THEM Takeda Chemical Industries, Ltd. (JP) 1982-01-27 EP disclosed
US-4307016-A FUNGICIDES, PROTOZOACIDES OR ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-12-22 US disclosed
US-4294757-A BLEACHING CELLULOSE FIBERS AND ADDITION OF ALKALI METAL POLYPHOSPHATES AND ALKALI METAL DIETHYLENETRIAMINE PENTA(METHYLENE PHOSPHONAT) TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1981-10-13 US disclosed
EP-0014402-A1 Novel 20-0-acylmaytansinoids, process for their preparation and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-08-20 EP disclosed
US-4190580-A Optically active maytansinoids and maytansinoid production method TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-02-26 US disclosed
EP-0004466-A1 Demethyl maytansinoids and methods for producing them Takeda Chemical Industries, Ltd. (JP) 1979-10-03 EP disclosed
US-4137230-A ESTERIFICATION IN PRESENCE OF A CARBODIIMIDE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-01-30 US disclosed