SCHEMBL9480326

SCHEMBL9480326

COC(=O)c1ccc(C)c2c1CC(O)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.37
GAA P10253 4/20 0.37
GLA P06280 2/20 0.37
ALDH1A1 P00352 6/20 0.37
FUCA1 P04066 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HPGD P15428 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL12597486 0.85 TSHR (0.44) KDM4EGAAALDH1A1FUCA1CA12
SCHEMBL22084664 0.85 KDM4E (0.37) KDM4EGAAGLAALDH1A1FUCA1
SCHEMBL22032149 0.85 KDM4E (0.37) KDM4EGAAGLAALDH1A1FUCA1
SCHEMBL4989662 0.79 SIRT6 (0.43) KDM4EALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL19211608 0.74 SMN1; SMN2 (0.40) KDM4EGAAGLAALDH1A1SMN1; SMN2
SCHEMBL2886941 0.74 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2HPGDNPSR1
SCHEMBL12126792 0.73 TSHR (0.44) KDM4EGAAALDH1A1CA12CA1
SCHEMBL23925965 0.73 CA12 (0.42) KDM4EGAAGLAALDH1A1SMN1; SMN2
SCHEMBL12126789 0.72 MAPK1 (0.35) KDM4EALDH1A1HPGDTDP1HSD17B10
SCHEMBL1339413 0.71 CYP4F2 (0.44) KDM4EGAAALDH1A1FUCA1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5234942-A Treating allergic pulmonary disorders, asthma ICI AMERICAS INC. (US) 1993-08-10 US disclosed
US-4997844-A Compounds for the treatment of allergic or inflammatory diseases or shock conditions ICI AMERICAS INC. (US) 1991-03-05 US disclosed
EP-0179619-B1 HETEROCYCLIC AMIDES ICI AMERICAS INC. (US) 1990-09-05 EP disclosed
EP-0179619-A1 Heterocyclic amides ICI AMERICAS INC. (US) 1986-04-30 EP disclosed