SCHEMBL11599111

SCHEMBL11599111

COc1cc(C(=O)CC(C)=O)ccc1Oc1ccc(C(=O)CC(C)=O)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 1/20 0.55
TSHR P16473 4/20 0.54
CTNNB1 P35222 2/20 0.54
WNT3A P56704 2/20 0.54
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA7 P43166 1/20 0.51
TPMT P51580 1/20 0.51

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
SCHEMBL1322947 0.93 MAPT (0.61) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL1659363 0.84 MAPT (0.71) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL3861897 0.83 MEN1 (0.64) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL16627198 0.83 TAS1R3 (0.54) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL11045656 0.83 MAPT (0.61) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL11790411 0.82 ALDH1A1 (0.65) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL10920479 0.82 ALDH1A1 (0.65) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL16376271 0.82 HTT (0.63) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL7380780 0.79 MAPT (0.61) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL30629388 0.79 CA12 (0.65) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4082807-A REACTING AN AROMATIC COMPOUND WITH AN ACETOACETYL FLUORIDE; HYDROGEN FLUORIDE HOECHST AKTIENGESELLSCHAFT (DT) 1978-04-04 US disclosed
US-3937737-A CHEMICAL INTERMEDIATES, DYES, PLASTICS, METAL COMPLEXES HOECHST AKTIENGESELLSCHAFT (DT) 1976-02-10 US disclosed