SCHEMBL8409674

SCHEMBL8409674

CCc1ccccc1-c1ccccc1OCCc1ccc(C(=O)OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP4A11 Q02928 2/20 0.46
MAPT P10636 3/20 0.45
RAB9A P51151 2/20 0.45
CYP4F2 P78329 1/20 0.45
LMNA P02545 2/20 0.44
CCR6 P51684 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
CKS1B P61024 1/20 0.42
SKP2 Q13309 1/20 0.42

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
SCHEMBL8408173 0.87 RXRA (0.52) MAPTALDH1A1TP53HPGDKMT2A
SCHEMBL8406676 0.87 MAPT (0.59) L3MBTL1TDP1MAPTRAB9ALMNA
SCHEMBL8409671 0.82 ABCB1 (0.51) L3MBTL1TDP1MAPTRAB9ACCR6
SCHEMBL14967138 0.80 L3MBTL1 (0.72) L3MBTL1TDP1CYP4A11MAPTRAB9A
SCHEMBL14967232 0.80 L3MBTL1 (0.53) L3MBTL1TDP1CYP4A11MAPTRAB9A
SCHEMBL14966824 0.79 L3MBTL1 (0.52) L3MBTL1TDP1CYP4A11MAPTRAB9A
SCHEMBL8406707 0.76 SMN1; SMN2 (0.52) L3MBTL1TDP1MAPTRAB9ALMNA
SCHEMBL5392156 0.76 MAPT (0.77) L3MBTL1TDP1CYP4A11MAPTRAB9A
SCHEMBL8406895 0.75 MAPT (0.51) L3MBTL1TDP1MAPTRAB9ALMNA
SCHEMBL8409540 0.75 CCR5 (0.53) L3MBTL1MAPTRAB9ALMNACYP1A2

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
EP-0778821-B1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LTD (GB) 1999-10-20 EP disclosed
US-5965741-A ANTIINFLAMMATORY, ANTIPYRETIC AND ANTIDIARRHOEAL PROPERTIES ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0778821-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1997-06-18 EP disclosed