SCHEMBL7555034

SCHEMBL7555034

COCC(C)c1ccc(CC(C(N)=O)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.63
CHRM1 P11229 6/20 0.45
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
UBE2N P61088 1/20 0.40
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL28107947 0.83 EPHX1 (0.75) EPHX1CHRM1ESR1ESR2ALDH1A1
SCHEMBL4506554 0.80 EPHX1 (0.71) EPHX1ALDH1A1MEN1KMT2A
SCHEMBL6802549 0.79 EPHX1 (0.58) EPHX1CHRM1ALDH1A1HPGDKMT2A
SCHEMBL1516139 0.79 EPHX1 (1.00) EPHX1CHRM1ALDH1A1PTGS1UBE2N
SCHEMBL11021257 0.78 EPHX1 (0.77) EPHX1CHRM1ESR1ESR2ALDH1A1
SCHEMBL8620330 0.77 EPHX1 (0.96) EPHX1CHRM1ALDH1A1PTGS1UBE2N
SCHEMBL28108056 0.77 EPHX1 (0.71) EPHX1ALDH1A1BACE1
SCHEMBL2093765 0.75 TAAR1 (0.54) ALDH1A1HPGD
SCHEMBL1911097 0.75 TAAR1 (0.54) ALDH1A1HPGD
SCHEMBL12282802 0.75 TAAR1 (0.54) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946495-B1 PHENYL ACETAMIDES AS SPLA2 INHIBITORS LILLY CO ELI (US) 2002-07-24 EP disclosed
US-6353128-B1 FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK. ELI LILLY AND COMPANY 2002-03-05 US disclosed
EP-0946495-A4 PHENYL ACETAMIDES AS SPLA2 INHIBITORS LILLY CO ELI (US) 2000-04-12 EP disclosed
EP-0946495-A1 PHENYL ACETAMIDES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1999-10-06 EP disclosed
WO-1998024756-A1 PHENYL ACETAMIDES AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1998-06-11 WO disclosed