SCHEMBL11096346

SCHEMBL11096346

CCOC(=O)Cc1cccc(Oc2ccc(C)c(C)c2)c1N

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.46
▸ SLC6A4 P31645 4/20 0.46
▸ ATM Q13315 2/20 0.40
▸ HTT P42858 1/20 0.39
▸ KCNH2 Q12809 3/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TBXAS1 P24557 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP3A5 P20815 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NLRP3 Q96P20 1/20 0.36

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
SCHEMBL11092953 0.86 HTR2A (0.49) HTR2ASLC6A4ATMKCNH2PTGS2
SCHEMBL11094079 0.86 CYP3A4 (0.50) HTR2ASLC6A4KCNH2CYP3A4CYP2D6
SCHEMBL11092566 0.85 TSHR (0.44) SLC6A4SMN1; SMN2TBXAS1PKMCYP2D6
SCHEMBL11084291 0.84 SLC6A4 (0.47) HTR2ASLC6A4HTTKCNH2CYP2C19
SCHEMBL11091259 0.84 HTR2A (0.47) HTR2ASLC6A4
SCHEMBL11087036 0.84 HTR2A (0.43) HTR2ASLC6A4CYP3A4
SCHEMBL11085687 0.83 DHFR (0.38) SLC6A4TBXAS1PKMCHEK1NLRP3
SCHEMBL11089498 0.82 TBXAS1 (0.45) HTTTBXAS1PKMCHEK1TDP1
SCHEMBL11090842 0.81 KMT2A (0.43) HTR2ASLC6A4ATMHTTPTGS2
SCHEMBL11092614 0.78 CXCL8 (0.51) TBXAS1PKML3MBTL1NLRP3

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-4472433-A Phenoxyphenyl acetic acids and their medicinal use FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 — — US disclosed
EP-0008226-B1 PHENYL-ALKANOIC ACID DERIVATIVES, THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-11-02 — — EP disclosed
EP-0008226-A2 Phenyl-alkanoic acid derivatives, the preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-02-20 — — EP disclosed
Send feedback