SCHEMBL2474641

SCHEMBL2474641

O=C(NCCc1cccnc1)N1CCC(c2ccc(O)cc2O)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
EPHX2 P34913 1/20 0.45
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PDK1 Q15118 2/20 0.43
NAMPT P43490 3/20 0.42
HSD17B1 P14061 1/20 0.41
PTAFR P25105 1/20 0.41
LMNA P02545 1/20 0.41
C3AR1 Q16581 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL2479412 0.88 GRM5 (0.45) LMNAMEN1KMT2A
SCHEMBL2475592 0.87 CHRM4 (0.48) LMNAMEN1KMT2AALDH1A1
SCHEMBL16564260 0.85 HDAC2 (0.42) HDAC2HDAC8HDAC6PDK1NAMPT
SCHEMBL2480143 0.81 EPHX2 (0.43) EPHX2NAMPTALDH1A1
SCHEMBL2477516 0.81 ALOX5 (0.46) ALDH1A1
SCHEMBL2473352 0.79 NPSR1 (0.58) MEN1KMT2AALDH1A1
SCHEMBL2474397 0.78 KMT2A (0.51) EPHX2LMNAMEN1KMT2A
SCHEMBL13873641 0.78 EPHX2 (0.51) EPHX1EPHX2NAMPTLMNAC3AR1
SCHEMBL16564496 0.77 EPHX1 (0.46) EPHX1NAMPTHSD17B1LMNAKMT2A
SCHEMBL13873672 0.77 EPHX2 (0.52) EPHX1EPHX2NAMPTLMNAC3AR1

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-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 claimed
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