SCHEMBL2497697

SCHEMBL2497697

COc1ccc([C@H](C)NC(=O)N2CCC(c3ccc(O)cc3O)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.55
PRKG1 Q13976 7/20 0.55
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
PPARG P37231 1/20 0.44
KMT2A Q03164 1/20 0.44
ACACB O00763 4/20 0.42
CNR1 P21554 2/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
CNR2 P34972 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
SCHEMBL2501551 0.90 ROCK2 (0.69) ROCK2PRKG1
SCHEMBL2474241 0.88 ROCK2 (0.46) ROCK2PRKG1MAPTACACBCNR1
SCHEMBL2500299 0.87 ROCK2 (0.49) ROCK2PRKG1CNR2
SCHEMBL2477830 0.87 ROCK2 (0.51) ROCK2PRKG1
SCHEMBL18281087 0.87 ROCK2 (0.51) ROCK2PRKG1
SCHEMBL2479130 0.87 ROCK2 (0.51) ROCK2PRKG1
SCHEMBL2479913 0.86 ROCK2 (0.58) ROCK2PRKG1ACACBCNR1MMP1
SCHEMBL2474149 0.80 GLA (0.53) MEN1CYP3A4KMT2A
SCHEMBL2480794 0.78 ROCK2 (0.42) ROCK2PRKG1MAPTCNR2
SCHEMBL13504492 0.78 ROCK2 (0.42) ROCK2PRKG1MAPTCNR2

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
EP-2373620-A1 NOVEL 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2011-10-12 EP disclosed