SCHEMBL11417801

SCHEMBL11417801

CC(C)(OO)c1cc(C(=O)Oc2ccccc2)cc(C(C)(C)OO)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ NSD2 O96028 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ ALOX5 P09917 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PARP10 Q53GL7 1/20 0.45
▸ KMT2A Q03164 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ PRSS1 P07477 1/20 0.41
▸ ACR P10323 1/20 0.41
▸ TMPRSS15 P98073 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40

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
SCHEMBL11422565 0.88 TDP1 (0.58) MAPTTDP1L3MBTL1NSD2ALDH1A1
SCHEMBL547614 0.84 MAPT (0.57) MAPTTDP1L3MBTL1NSD2ALDH1A1
SCHEMBL11425642 0.83 MAPT (0.73) MAPTTDP1L3MBTL1ALDH1A1ALOX15
SCHEMBL9338150 0.82 MAPT (0.68) MAPTTDP1L3MBTL1NSD2ALDH1A1
SCHEMBL11417551 0.78 PRSS1 (0.51) MAPTTDP1L3MBTL1ALDH1A1ALOX15
SCHEMBL2035745 0.77 NSD2 (0.74) MAPTTDP1L3MBTL1NSD2ALDH1A1
SCHEMBL11430442 0.76 TDP1 (0.49) MAPTTDP1L3MBTL1ALDH1A1ALOX15
SCHEMBL1786807 0.76 MAPT (0.69) MAPTTDP1L3MBTL1NSD2ALDH1A1
SCHEMBL547801 0.75 MAPT (0.58) MAPTTDP1L3MBTL1NSD2ALDH1A1
SCHEMBL678424 0.73 MAPT (0.70) MAPTTDP1L3MBTL1NSD2ALDH1A1

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-4202833-A INTERMEDIATES TO BISPHENOL CARBONATES THE UPJOHN COMPANY (US) 1980-05-13 — — US disclosed
US-4200763-A CHEMICAL INTERMEDIATE THE UPJOHN COMPANY (US) 1980-04-29 — — US disclosed
US-4164510-A METAL PHTHALOCYANINE, TERT-ALKYL PEROXIDE AS CATALYST THE UPJOHN COMPANY (US) 1979-08-14 — — US disclosed
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