SCHEMBL7992071

SCHEMBL7992071

CCCOC(=O)N=C(NC(=O)OCCC)c1cc[c]cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
MAPK1 P28482 2/20 0.39
HPGD P15428 5/20 0.37
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
ESR1 P03372 1/20 0.35
CHRM1 P11229 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A2 P23975 1/20 0.35
KDR P35968 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
TP53 P04637 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
CSNK2A2 P19784 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
SCHEMBL7992070 1.00 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPK1HPGDLMNA
SCHEMBL7989499 0.92 RAB9A (0.41) ALDH1A1SMN1; SMN2MAPK1HPGDLMNA
SCHEMBL7989497 0.92 RAB9A (0.41) ALDH1A1SMN1; SMN2MAPK1HPGDLMNA
SCHEMBL7975371 0.86 CYP1A2 (0.38) ALDH1A1SMN1; SMN2MAPK1GAANPC1
SCHEMBL7975368 0.86 CYP1A2 (0.38) ALDH1A1SMN1; SMN2MAPK1GAANPC1
SCHEMBL7992134 0.77 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2MAPK1HPGDLMNA
SCHEMBL7974737 0.77 PKM (0.34) ALDH1A1HPGDLMNA
SCHEMBL7974738 0.77 PKM (0.34) ALDH1A1HPGDLMNA
SCHEMBL7975289 0.74 LMNA (0.36) ALDH1A1SMN1; SMN2MAPK1HPGDLMNA
SCHEMBL7975292 0.74 LMNA (0.36) ALDH1A1SMN1; SMN2MAPK1HPGDLMNA

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