SCHEMBL19901565

SCHEMBL19901565

O=C(O)CNC(=O)CNC(=O)CNC(=O)CCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCN1C(=O)C=CC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.41
PTGS2 P35354 4/20 0.41
FAAH O00519 6/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
GPR18 Q14330 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL11887084 0.87 PTGS1 (0.43) PTGS1PTGS2FAAHALDH1A1MEN1
SCHEMBL19901568 0.85 PTGS1 (0.40) PTGS1PTGS2FAAHALDH1A1MEN1
SCHEMBL17347440 0.85 PTGS1 (0.46) PTGS1PTGS2FAAHALDH1A1MEN1
SCHEMBL21450341 0.84 PTGS1 (0.64) PTGS1PTGS2FAAHALDH1A1MEN1
SCHEMBL2552080 0.84 PTGS1 (0.64) PTGS1PTGS2FAAHALDH1A1MEN1
SCHEMBL24581267 0.83 PTGS1 (0.49) PTGS1PTGS2FAAHALDH1A1MEN1
SCHEMBL31309882 0.83 PTGS1 (0.49) PTGS1PTGS2FAAHALDH1A1MEN1
SCHEMBL30963644 0.83 PTGS1 (0.49) PTGS1PTGS2FAAHALDH1A1MEN1
SCHEMBL27175515 0.82 PTGS1 (0.50) PTGS1PTGS2FAAHALDH1A1MEN1
SCHEMBL14957180 0.80 PTGS1 (0.68) PTGS1PTGS2FAAHALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961435-B1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS IMMUNOGEN INC (US) 2019-05-01 EP disclosed
US-9901647-B2 Conjugates comprising cell-binding agents and cytotoxic agents IMMUNOGEN, INC. (US) 2018-02-27 US disclosed