SCHEMBL7556579

SCHEMBL7556579

CCc1cccc(CC(C(N)=O)c2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.71
CTSB P07858 1/20 0.49
CHRM1 P11229 8/20 0.46
PTGS2 P35354 1/20 0.43
UBE2N P61088 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
POLB P06746 1/20 0.41
BCL2 P10415 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL30831649 0.86 EPHX1 (0.73) EPHX1CHRM1UBE2N
SCHEMBL28605746 0.85 EPHX1 (0.71) EPHX1CTSBCHRM1UBE2NPOLB
SCHEMBL29609668 0.85 EPHX1 (0.71) EPHX1CTSBCHRM1UBE2NPOLB
SCHEMBL1516139 0.84 EPHX1 (1.00) EPHX1CHRM1UBE2NPOLB
SCHEMBL7556577 0.83 EPHX1 (0.51) EPHX1CTSBPTGS2
SCHEMBL8620330 0.82 EPHX1 (0.96) EPHX1CHRM1UBE2NPOLBMEN1
SCHEMBL29609727 0.82 EPHX1 (0.71) EPHX1CHRM1MEN1KMT2A
SCHEMBL29609793 0.82 EPHX1 (0.71) EPHX1CHRM1UBE2N
SCHEMBL29609873 0.82 EPHX1 (0.71) EPHX1CTSBMEN1KMT2A
SCHEMBL28605618 0.82 EPHX1 (0.71) EPHX1CHRM1UBE2N

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
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