SCHEMBL7777930

SCHEMBL7777930

COC(=O)c1ccc(CCc2ccccc2Nc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
ALOX15 P16050 2/20 0.52
SIRT2 Q8IXJ6 2/20 0.52
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX12 P18054 1/20 0.51
CYP2C19 P33261 1/20 0.51
CKS1B P61024 1/20 0.51
SKP2 Q13309 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CCR6 P51684 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CYP4A11 Q02928 2/20 0.49

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
SCHEMBL7777934 0.86 CA1 (0.60) MAPTSIRT2ALDH1A1HPGDCA1
SCHEMBL8162236 0.84 ALDH1A1 (0.60) MAPTALOX15ALDH1A1HPGDTP53
SCHEMBL1928912 0.81 TSHR (0.67) MAPTALOX15ALDH1A1HPGDTP53
SCHEMBL8142207 0.80 SIRT2 (0.54) MAPTALOX15SIRT2ALDH1A1HPGD
SCHEMBL6261633 0.79 CYP4A11 (0.60) MAPTALOX15ALDH1A1HPGDTP53
SCHEMBL8324095 0.79 ALDH1A1 (0.69) MAPTALOX15ALDH1A1HPGDTP53
SCHEMBL8126839 0.78 SIRT2 (0.52) MAPTALOX15SIRT2ALDH1A1HPGD
SCHEMBL3552587 0.78 TLR8 (0.49) MAPTALOX15ALDH1A1HPGDTP53
SCHEMBL10397850 0.77 ALDH1A1 (0.56) ALOX15ALDH1A1HPGDTP53CYP1A2
SCHEMBL70185 0.77 CYP4A11 (0.75) MAPTALOX15ALDH1A1HPGDTP53

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
EP-0809622-B1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS INC (US) 2001-08-29 EP disclosed
EP-0809622-A4 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC (US) 1998-07-08 EP disclosed
EP-0809622-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1997-12-03 EP disclosed
WO-1996025383-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1996-08-22 WO disclosed
US-5530157-A NON-STEROID ANTIINFLAMMATORY DRUG SCIOS NOVA INC. (US) 1996-06-25 US disclosed