SCHEMBL7986558

SCHEMBL7986558

CCOC(=O)/N=C(\c1cc[c]cc1)N(C(=O)OCC)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ESR1 P03372 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
ESR2 Q92731 1/20 0.32
CA14 Q9ULX7 1/20 0.32
POLB P06746 4/20 0.31
LMNA P02545 3/20 0.31
SMN1; SMN2 Q16637 2/20 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
SCHEMBL7986561 1.00 CTDSP1 (0.33) CTDSP1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL7975292 0.87 LMNA (0.36) ALDH1A1KMT2ANPC1RAB9AMAPT
SCHEMBL7975289 0.87 LMNA (0.36) ALDH1A1KMT2ANPC1RAB9AMAPT
SCHEMBL7988535 0.85 ESR1 (0.38) ALDH1A1NPC1RAB9AMAPTCYP1A2
SCHEMBL7988537 0.85 ESR1 (0.38) ALDH1A1NPC1RAB9AMAPTCYP1A2
SCHEMBL18300754 0.79 LMNA (0.38) ALDH1A1KMT2AMAPTCYP1A2CA12
SCHEMBL7985779 0.78 PKM (0.33)
SCHEMBL7988764 0.78 PKM (0.33)
SCHEMBL7992464 0.74
SCHEMBL7992462 0.74

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
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed