SCHEMBL7618487

SCHEMBL7618487

COc1cccc(OC)c1OC(C)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
HDAC4 P56524 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA4 P22748 1/20 0.41
ALDH1A1 P00352 2/20 0.39
NFE2L2 Q16236 3/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 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
SCHEMBL24926176 0.79 SMN1; SMN2 (0.50) SMN1; SMN2HDAC4HDAC8CA1CA2
SCHEMBL19612192 0.75 SMN1; SMN2 (0.47) SMN1; SMN2HDAC4HDAC8CA1CA2
SCHEMBL10661795 0.75 SMN1; SMN2 (0.47) SMN1; SMN2HDAC4HDAC8CA1CA2
SCHEMBL11749913 0.75 SMN1; SMN2 (0.47) SMN1; SMN2HDAC4HDAC8CA1CA2
SCHEMBL2479629 0.73 CA12 (0.34) HDAC4HDAC8CA1CA2CA12
SCHEMBL28000332 0.72 SMN1; SMN2 (0.48) SMN1; SMN2CA1CA2CA12CA7
SCHEMBL6231680 0.71 SMN1; SMN2 (0.52) SMN1; SMN2CA1CA2CA12CA7
SCHEMBL9676689 0.71 SMN1; SMN2 (0.47) SMN1; SMN2CA1CA2CA12CA7
SCHEMBL25434306 0.70 CA1 (0.61) SMN1; SMN2CA1CA2CA12CA7
SCHEMBL151213 0.70 CA1 (0.61) SMN1; SMN2CA1CA2CA12CA7

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-0858445-B1 NEW [(3-ALKOXY-PHENOXY)-ETHYL]-DIALKYLAMINE DERIVATIVES AND THEIR USE AS LOCAL ANAESTHETICS ASTRAZENECA AB (SE) 2002-03-27 EP disclosed
US-6310252-B1 AS TOPICAL ANAESTHETICS ASTRAZENECA AB (SE) 2001-10-30 US disclosed