SCHEMBL7438653

SCHEMBL7438653

CCCc1ccc(NCC(=O)OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
PLK1 P53350 1/20 0.46
ALDH1A1 P00352 7/20 0.43
POLB P06746 5/20 0.43
GAA P10253 3/20 0.43
FFAR1 O14842 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRB P10828 2/20 0.42
CTDSP1 Q9GZU7 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40

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
SCHEMBL6249295 0.86 POLB (0.49) PLK1ALDH1A1POLBGAALMNA
SCHEMBL7486468 0.85 TAAR1 (0.46) CYP4F2CYP4A11ALDH1A1POLBGAA
SCHEMBL10952675 0.82 L3MBTL1 (0.50) PLK1ALDH1A1POLBGAAFFAR1
SCHEMBL9779958 0.81 SIRT2 (0.45) CYP4F2CYP4A11GAAFFAR1THRB
SCHEMBL6821960 0.81 FFAR1 (0.52) CYP4F2CYP4A11ALDH1A1POLBGAA
SCHEMBL6818658 0.81 SMN1; SMN2 (0.60) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL5346268 0.81 LOXL2 (0.53) ALDH1A1POLBGAAKDM4EHPGD
Sulfuric Acid SCHEMBL7322315 0.80 CA12 (0.45) CYP4F2CYP4A11ALDH1A1GAAFFAR1
SCHEMBL7151292 0.79 POLB (0.49) CYP4F2CYP4A11ALDH1A1POLBGAA
SCHEMBL14279383 0.79 LSS (0.46) ALDH1A1POLBGAAKDM4EHPGD

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-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed