SCHEMBL11262354

SCHEMBL11262354

CCC(CCN(C)C)NC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 16/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 0.35
CA9 Q16790 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL4985088 0.89 UTS2R (0.37) UTS2RCA12CA1CA2MMP1
SCHEMBL18390896 0.82 ALDH1A1 (0.38) UTS2RCA12CA1CA2MMP1
SCHEMBL1065657 0.82 CA12 (0.34) UTS2RCA12CA1CA2MMP1
SCHEMBL15559120 0.81 CYP2D6 (0.42) UTS2R
SCHEMBL25099130 0.81 CNR2 (0.38) UTS2RCA12CA1CA2MMP1
SCHEMBL13895348 0.81 CA12 (0.33) UTS2RCA12CA1CA2MMP1
SCHEMBL18390895 0.79 ALDH1A1 (0.43) CA12CA1CA2MMP1MMP2
SCHEMBL9994978 0.79 TAS1R3 (0.31) CA12CA1CA2MMP1MMP2
SCHEMBL6717845 0.79 TAS1R3 (0.50) CA12CA1CA2MMP1MMP2
SCHEMBL28866263 0.79 CA2 (0.40) CA12CA1CA2MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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