SCHEMBL11418898

SCHEMBL11418898

Oc1cccc(/N=C/c2ccccc2)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.51
ALDH1A1 P00352 6/20 0.51
MAPT P10636 5/20 0.51
KDM4E B2RXH2 5/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
RECQL P46063 2/20 0.51
MPI P34949 2/20 0.51
CA2 P00918 5/20 0.50
LMNA P02545 5/20 0.50
HPGD P15428 4/20 0.50
CA12 O43570 3/20 0.50
CA9 Q16790 3/20 0.50
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
CA1 P00915 4/20 0.44
DHODH Q02127 2/20 0.44
GAA P10253 4/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 4/20 0.42

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
SCHEMBL10628465 1.00 POLB (0.51) POLBALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL1238795 0.86 CA2 (0.55) POLBALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL30373259 0.86 CA2 (0.55) POLBALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL14337533 0.86 CA2 (0.55) POLBALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL2322410 0.86 CA2 (0.55) POLBALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL11410350 0.85 MAPT (0.46) POLBALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL11410353 0.85 MAPT (0.46) POLBALDH1A1MAPTKDM4EL3MBTL1
Lithium Ion SCHEMBL3400785 0.84 CA2 (0.53) POLBALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL14982912 0.79 CA12 (0.57) POLBALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL13215048 0.79 CA12 (0.81) POLBALDH1A1MAPTKDM4EL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4235929-A TOPICAL ADMINISTRATION OF ANTIINFLAMMATORY AGENT WILLIAM H. RORER, INC. (US) 1980-11-25 US disclosed
US-4198349-A ANTIINFLAMMATORY, TOPICAL WILLIAM H. RORER, INC. (US) 1980-04-15 US disclosed
US-4176198-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1979-11-27 US disclosed