SCHEMBL11727367

SCHEMBL11727367

CC(C(=O)N1CCCCC1)c1ccc(C(=O)c2cccs2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP2C9 P11712 3/20 0.42
HPGD P15428 2/20 0.42
PTGS1 P23219 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
PTGS2 P35354 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 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
SCHEMBL11727375 1.00 GAA (0.44) GAAMAPTALDH1A1CYP2C9HPGD
SCHEMBL11705395 0.82 HPGD (0.64) GAAMAPTALDH1A1CYP2C9HPGD
SCHEMBL11705386 0.82 HPGD (0.64) GAAMAPTALDH1A1CYP2C9HPGD
Cliprofen SCHEMBL11702737 0.81 PTGS1 (0.63) MAPTALDH1A1CYP2C9HPGDPTGS1
Cliprofen SCHEMBL29910028 0.81 PTGS1 (0.63) MAPTALDH1A1CYP2C9HPGDPTGS1
Cliprofen SCHEMBL42298 0.81 PTGS1 (0.63) MAPTALDH1A1CYP2C9HPGDPTGS1
SCHEMBL11706148 0.78 HPGD (0.46) GAAMAPTALDH1A1CYP2C9HPGD
SCHEMBL11702059 0.76 HPGD (0.50) MAPTALDH1A1CYP2C9HPGDPTGS1
SCHEMBL11703609 0.75 SMN1; SMN2 (0.46) GAAMAPTALDH1A1CYP2C9HPGD
SCHEMBL11707677 0.74 HPGD (0.42) MAPTALDH1A1CYP2C9HPGDPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4064132-A ANTIINFLAMMATORY AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1977-12-20 US disclosed
US-4060528-A ANTIINFLAMMATORY JANSSEN PHARMACEUTICA N.V. (BE) 1977-11-29 US disclosed
US-4035376-A ESTERS, AMIDES, HYDROXAMIC ACIDS, ANTIINFLAMMATORY JANSSEN PHARMACEUTICA N.V. (BE) 1977-07-12 US disclosed