SCHEMBL6955538

SCHEMBL6955538

C=C(CC(CC(C)c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.43
ESR2 Q92731 8/20 0.43
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
PGR P06401 2/20 0.39
CHRM2 P08172 2/20 0.39
CYP3A4 P08684 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
AR P10275 2/20 0.39
CYP2D6 P10635 2/20 0.39
CHRM1 P11229 2/20 0.39
CYP2C9 P11712 2/20 0.39
ALOX15 P16050 2/20 0.39
DRD1 P21728 2/20 0.39
TBXA2R P21731 2/20 0.39
PTGS1 P23219 2/20 0.39
SLC6A2 P23975 2/20 0.39
CYP2C19 P33261 2/20 0.39
ADRA1A P35348 2/20 0.39

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
SCHEMBL4435322 0.80 ESR1 (0.57) ESR1ESR2MAPTLMNACYP1A2
SCHEMBL12384051 0.75 ESR1 (0.58) ESR1ESR2MAPTLMNACYP1A2
SCHEMBL9626596 0.75 MAPT (0.46) ESR1ESR2MAPTLMNACYP1A2
SCHEMBL5607941 0.75 ESR1 (0.47) ESR1ESR2MAPTLMNACYP1A2
SCHEMBL6341136 0.74 ESR1 (0.64) ESR1ESR2MAPTLMNACYP1A2
SCHEMBL16200769 0.73 ESR1 (0.55) ESR1ESR2MAPTLMNACYP1A2
SCHEMBL13294722 0.73 ESR1 (0.55) ESR1ESR2MAPTLMNACYP1A2
SCHEMBL16200764 0.73 ESR1 (0.55) ESR1ESR2MAPTLMNACYP1A2
SCHEMBL29833332 0.73 ESR1 (0.61) ESR1ESR2MAPTLMNACYP1A2
SCHEMBL16865915 0.73 ESR1 (0.55) ESR1ESR2MAPTLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602938-B1 Alkali metal salt of an aromatic sulonic acid SUMITOMO DOW LTD. (JP) 2003-08-05 US disclosed
EP-0023650-B2 Use of alkaline and earth-alkaline salts of alkyl-substituted aromatic sulphonic acids, phosphonic acids and acid esters of phosphoric acid as internal antistatic agents for films of polycarbonate BAYER AG (DE) 1990-08-16 EP disclosed
EP-0107015-B1 CONDUCTIVE THERMOPLASTIC COMPOSITIONS MOBAY CORPORATION (US) 1986-11-12 EP disclosed
EP-0088947-B1 POLYCARBONATE-CALCITE COMPOSITIONS AND THEIR USE TO PREPARE FILMS MOBAY CORPORATION (US) 1986-05-14 EP disclosed
EP-0036080-B1 AROMATIC POLYESTER CARBONATES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE PREPARATION OF MOULDINGS, FILMS AND COATINGS BAYER AG (DE) 1984-11-28 EP disclosed