SCHEMBL8943865

SCHEMBL8943865

CCCC(c1ccc(CO)c(C(C)(C)C)c1)c1ccc(CO)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
ACE2 Q9BYF1 1/20 0.36
ADRB2 P07550 4/20 0.34
CYP1A2 P05177 3/20 0.34
TSHR P16473 2/20 0.34
NFKB1 P19838 1/20 0.34
HIF1A Q16665 1/20 0.34
ADRB1 P08588 1/20 0.34
CYP3A4 P08684 1/20 0.34
PSEN1 P49768 5/20 0.34
PSEN2 P49810 5/20 0.34
APH1B Q8WW43 5/20 0.34
NCSTN Q92542 5/20 0.34
APH1A Q96BI3 5/20 0.34
PSENEN Q9NZ42 5/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8088903 0.81 ALOX15 (0.55) CYP2D6CYP2C9CYP2C19TP53ALOX15
SCHEMBL9221138 0.79 ACE2 (0.35) CYP2D6CYP2C9CYP2C19ACE2ADRB2
SCHEMBL30288164 0.75 AKR1C3 (0.49) CYP2C9CYP2C19CYP1A2TSHRNFKB1
SCHEMBL223426 0.75 ALOX15 (0.51) CYP2D6CYP2C9CYP2C19TP53ALOX15
SCHEMBL30343443 0.72 ALDH1A1 (0.53) CYP2D6CYP2C9CYP2C19TP53ALOX15
SCHEMBL1596042 0.72 ALDH1A1 (0.53) CYP2D6CYP2C9CYP2C19TP53ALOX15
SCHEMBL6567193 0.71 GAA (0.48) CYP2D6CYP2C9CYP2C19TP53ALOX15
SCHEMBL3418296 0.71 TP53 (0.35) CYP2D6CYP2C9CYP2C19TP53ALOX15
SCHEMBL11455102 0.70 TSHR (0.54) CYP2D6CYP2C9CYP2C19TP53ALOX15
SCHEMBL6296180 0.70 CYP2C9 (0.54) CYP2D6CYP2C9CYP2C19TP53ALOX15

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-5578665-A HEAT AND OXIDATION RESISTANCE; PHOTOSTABILITY CIBA-GEIGY CORPORATION (US) 1996-11-26 US disclosed
EP-0235077-B1 CURABLE MIXTURES BASED ON DIGLYCIDYL COMPOUNDS AND METAL COMPLEXES CIBA-GEIGY AG (CH) 1990-09-19 EP disclosed
US-4716185-A Curable mixtures based on diglycidyl compounds and metal complex compounds CIBA-GEIGY CORPORATION (US) 1987-12-29 US disclosed
EP-0235077-A2 Curable mixtures based on diglycidyl compounds and metal complexes CIBA-GEIGY AG (CH) 1987-09-02 EP disclosed