SCHEMBL10359776

SCHEMBL10359776

C=CCC12C=CC(CC1OC(=O)NCc1ccccc1)C2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 12/20 0.42
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
EPHX2 P34913 1/20 0.39
P2RX7 Q99572 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CASP1 P29466 1/20 0.38
KCNA3 P22001 1/20 0.36
CES2 O00748 1/20 0.36

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
SCHEMBL10358804 0.85 LMNA (0.41) BCHEMAPK1P2RX7
SCHEMBL10358817 0.85 TSHR (0.46) HPGDMAPK1EPHX2KMT2A
SCHEMBL9803151 0.81 TSHR (0.42) HPGDMAPK1EPHX2P2RX7MEN1
SCHEMBL10359171 0.76
SCHEMBL10359173 0.75 EPHX1 (0.40) EPHX2MEN1KMT2A
SCHEMBL10701273 0.71 ALDH1A1 (0.43) HPGDMAPK1EPHX2P2RX7MEN1
SCHEMBL28019638 0.65 BCHE (0.55) BCHEHPGDMAPK1EPHX2P2RX7
SCHEMBL27810920 0.65 BCHE (0.61) BCHEHPGDKCNA3
SCHEMBL9803398 0.65 LMNA (0.45) MEN1KMT2A
SCHEMBL19641338 0.65 BCHE (0.48) BCHEHPGDKCNA3

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-0226544-B1 Derivatives of alkyl-bicyclo[2.2.1]hept-5-ene-2-carboxylic acids CIBA-GEIGY AG (CH) 1990-03-07 EP disclosed
EP-0226544-A2 Derivatives of alkyl-bicyclo[2.2.1]hept-5-ene-2-carboxylic acids CIBA-GEIGY AG (CH) 1987-06-24 EP disclosed