SCHEMBL11752018

SCHEMBL11752018

CC(CO)Oc1ccc(Oc2ccc(Br)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
LDHA P00338 1/20 0.43
CA2 P00918 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SRD5A2 P31213 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC6A4 P31645 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GCK P35557 2/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36

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
SCHEMBL7830796 0.94 LDHA (0.47) MAPTLDHALMNATDP1SLC6A4
SCHEMBL11749586 0.94 LDHA (0.47) MAPTLDHALMNATDP1SLC6A4
SCHEMBL11750926 0.89 LDHA (0.43) MAPTLDHALMNATDP1SLC6A4
SCHEMBL10629728 0.84 MTNR1A (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL11116490 0.83 LTA4H (0.52) MAPTCA2LMNAALDH1A1MTNR1A
SCHEMBL4041395 0.83 LTA4H (0.52) MAPTCA2LMNAALDH1A1MTNR1A
SCHEMBL11750375 0.82 MAOB (0.55) CA2MMP2MMP9MMP14CA9
SCHEMBL10878284 0.81 ALDH1A1 (0.44) ALDH1A1PPARGPPARA
SCHEMBL11464422 0.81 SIGMAR1 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10560922 0.80 SLC6A4 (0.39) MAPTLMNATDP1SLC6A4KDM4E

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-4051173-A Phenoxyalkanol derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 US disclosed