SCHEMBL2473937

SCHEMBL2473937

NCCCOc1cc(CO)ccc1CO

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.41
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
EGFR P00533 1/20 0.35
GLA P06280 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TTR P02766 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL11212429 0.77 HTR1B (0.58) HTR1BSMN1; SMN2TAAR1MAPK1KDM4E
SCHEMBL14853454 0.76 BACE1 (0.43) GLASMN1; SMN2TAAR1TSHRMAPK1
SCHEMBL18906416 0.72 ELANE (0.49) SMN1; SMN2TSHRMAPK1TTR
SCHEMBL13842107 0.72 KCNA3 (0.47) TSHR
SCHEMBL13842094 0.72 KCNA3 (0.47)
SCHEMBL3977247 0.72 L3MBTL1 (0.41) CYP4F2CYP4A11KDM4E
SCHEMBL20200250 0.72 PDCD1 (0.51) CYP4F2CYP4A11TAAR1TSHRMAPK1
SCHEMBL31280574 0.72 PDCD1 (0.51) CYP4F2CYP4A11TAAR1TSHRMAPK1
SCHEMBL9965339 0.72 HRH3 (0.53) TAAR1
SCHEMBL14852986 0.71 PYGL (0.41) CYP4F2CYP4A11SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371827-A1 Cytotoxic agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2011-10-05 EP disclosed