SCHEMBL10994604

SCHEMBL10994604

CCc1ccc2c(c1)OC(C(O)CN1CCN(CC(=O)Nc3ccccc3)CC1)CO2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 1/20 0.48
ALDH1A1 P00352 9/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
FAAH O00519 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL10986888 0.88 POLB (0.55) ALDH1A1MAPTPOLBKMT2AKDM4E
SCHEMBL7444058 0.87 ALDH1A1 (0.44) REV1ALDH1A1MAPTPOLBDRD2
SCHEMBL10995044 0.85 ALDH1A1 (0.48) ALDH1A1POLBDRD2DRD4DRD3
SCHEMBL10992553 0.83 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AKDM4ETDP1
SCHEMBL10997102 0.83 MEN1 (0.52) REV1ALDH1A1MAPTPOLBCA1
SCHEMBL10991908 0.83 RAB9A (0.56) ALDH1A1MAPTPOLBCA1CA2
SCHEMBL10996385 0.83 POLB (0.51) REV1ALDH1A1MAPTPOLBCA1
SCHEMBL10993177 0.82 POLB (0.42) ALDH1A1MAPTPOLBCA1CA2
SCHEMBL10994397 0.81 ALDH1A1 (0.58) ALDH1A1MAPTPOLBKMT2ATDP1
SCHEMBL10994263 0.81 ALDH1A1 (0.41) REV1ALDH1A1MAPTPOLBKMT2A

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-4558129-A Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade SYNTEX (U.S.A.) INC. (US) 1985-12-10 US disclosed