SCHEMBL7414017

SCHEMBL7414017

CCCCCC(CCCCNCCCN)NCCCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
CA12 O43570 2/20 0.48
F13A1 P00488 2/20 0.48
CA2 P00918 2/20 0.48
CYP1A2 P05177 2/20 0.48
ALOX15 P16050 2/20 0.48
CA4 P22748 2/20 0.48
CA6 P23280 2/20 0.48
CA5A P35218 2/20 0.48
THPO P40225 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
CASP2 P42575 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL7412132 0.96 CA12 (0.48) TSHRCA12F13A1CA2CYP1A2
SCHEMBL1960569 0.91 RELA (0.45) TSHRCA12F13A1CA2CYP1A2
SCHEMBL30473263 0.91 RELA (0.45) TSHRCA12F13A1CA2CYP1A2
SCHEMBL9171472 0.90 DNM1 (0.48) TSHRALDH1A1MEN1KMT2AGNAI3
SCHEMBL27345554 0.90 DNM1 (0.48) TSHRALDH1A1MEN1KMT2AGNAI3
SCHEMBL27603365 0.90 DNM1 (0.48) TSHRALDH1A1MEN1KMT2AGNAI3
SCHEMBL31090424 0.89 GNAI3 (0.47) TSHRALDH1A1MEN1KMT2AGNAI3
SCHEMBL22205253 0.89 DNM1 (0.46) TSHRALDH1A1MEN1KMT2AGNAI3
SCHEMBL31090410 0.89 DNM1 (0.52) TSHRALDH1A1MEN1KMT2AGNAI3
SCHEMBL22205254 0.87 DNM1 (0.44) TSHRALDH1A1MEN1KMT2AGNAI3

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
US-5500410-A BACTERICIDES GRUPPO LEPETIT S.P.A. (IT) 1996-03-19 US disclosed
EP-0465481-B1 NEW SUBSTITUTED ALKYLAMIDE DERIVATIVES OF TEICOPLANIN LEPETIT SPA (IT) 1993-11-18 EP disclosed
EP-0465481-A1 NEW SUBSTITUTED ALKYLAMIDE DERIVATIVES OF TEICOPLANIN. LEPETIT SPA (IT) 1992-01-15 EP disclosed
WO-1990011300-A1 NEW SUBSTITUTED ALKYLAMIDE DERIVATIVES OF TEICOPLANIN GRUPPO LEPETIT S.P.A. (IT) 1990-10-04 WO disclosed