SCHEMBL9680374

SCHEMBL9680374

CCOC(=O)c1ccc2c(c1)C(c1ccc[nH]c1=O)=CC(C)(C)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
RECQL P46063 1/20 0.42
GLA P06280 1/20 0.40
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
PABPC1 P11940 1/20 0.37
APOBEC3A P31941 1/20 0.37
EIF4H Q15056 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
HCRTR1 O43613 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 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
SCHEMBL9680947 0.89 PDPK1 (0.43) MAPTRARARARBRARGCA12
SCHEMBL9682041 0.77 KDM4E (0.42) ALDH1A1RARARARBRARGKDM4E
SCHEMBL9680412 0.77 KMT2A (0.34) ALDH1A1MAPTRARARARBRARG
SCHEMBL9680365 0.77 PBRM1 (0.35) ALDH1A1RARARARBRARGKDM4E
SCHEMBL9682059 0.76 MAPT (0.45) ALDH1A1MAPTRECQLGLARARA
SCHEMBL9682834 0.74 PDPK1 (0.39)
SCHEMBL7277024 0.71 ALDH1A1 (0.42) ALDH1A1MAPTRECQLGLAUSP2
SCHEMBL9680959 0.71 ALDH1A1 (0.41) ALDH1A1MAPTRECQLUSP2ALOX15
SCHEMBL6589881 0.71 RARA (0.45) ALDH1A1MAPTGLARARARARB
SCHEMBL12365911 0.70 RARA (0.43) ALDH1A1MAPTRARARARBRARG

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-5112839-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-05-12 US disclosed