SCHEMBL6791592

SCHEMBL6791592

COc1ccc2c(c1)O[C](C)N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.46
ALDH1A1 P00352 6/20 0.42
PGR P06401 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
KMT2A Q03164 3/20 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
SCHEMBL34467599 0.86 SNCA (0.55) SNCAALDH1A1PGRCA12CA1
SCHEMBL13461776 0.86 SNCA (0.55) SNCAALDH1A1PGRCA12CA1
SCHEMBL31191629 0.79 ALOX5 (0.59) SNCAALDH1A1KDM4EMAPTHPGD
SCHEMBL21628231 0.79 ALOX5 (0.59) SNCAALDH1A1KDM4EMAPTHPGD
SCHEMBL21753467 0.73 KMT2A (0.43) SNCAALDH1A1CA12CA1CA2
SCHEMBL21628199 0.72 MAOB (0.47) SNCAALDH1A1CA12CA9KDM4E
SCHEMBL21628222 0.72 SNCA (0.63) SNCAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL29636494 0.72 SNCA (0.63) SNCAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7658287 0.71 ALDH1A1 (0.47) SNCAALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL13135833 0.70 CA2 (0.46) SNCAALDH1A1CA12CA1CA2

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
US-20040116435-A1 Benzimidazol derivatives modulate chemokine receptors ASTRAZENECA AB (SE) 2004-06-17 US disclosed