SCHEMBL11046037

SCHEMBL11046037

CC1=NN(c2ccc(C(=O)O)cc2)CC1=Cc1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 4/20 0.44
SIRT5 Q9NXA8 1/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PDE5A O76074 1/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA3 P07451 1/20 0.40
TYR P14679 1/20 0.40
DRD1 P21728 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 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
SCHEMBL11048900 0.82 CXCL12 (0.50) MAPTHPGDHTTMEN1KMT2A
SCHEMBL8629565 0.74 POLB (0.50) KAT8MAPTHPGDHTTMEN1
SCHEMBL8078405 0.72 KAT8 (0.81) KAT8SIRT5MAPTMEN1KMT2A
SCHEMBL443203 0.72 KAT8 (0.81) KAT8SIRT5MAPTMEN1KMT2A
SCHEMBL420591 0.72 KAT8 (0.81) KAT8SIRT5MAPTMEN1KMT2A
SCHEMBL14158871 0.68 MAPT (0.46) MAPTHPGDHTTCA2CA12
SCHEMBL2449699 0.64 CA2 (0.73) MAPTHPGDMEN1KMT2ACA2
SCHEMBL2449700 0.64 CA2 (0.73) MAPTHPGDMEN1KMT2ACA2
SCHEMBL901098 0.64 ESR1 (0.78) CA2CA12CA1CA3TYR
SCHEMBL901029 0.64 ESR1 (0.78) CA2CA12CA1CA3TYR

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-0021513-B1 PHOTOGRAPHIC SILVER HALIDE MATERIALS CONTAINING DISPERSED LIGHT-ABSORBING MEROSTYRYL DYES AGFA-GEVAERT N.V. (BE) 1984-03-21 EP claimed