SCHEMBL11106977

SCHEMBL11106977

C=CCc1cc(C(=O)c2ccccc2)ccc1OS(C)(=O)=O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.65
PTGS2 P35354 3/20 0.44
PTGS1 P23219 2/20 0.44
STS P08842 2/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PTPN1 P18031 1/20 0.40
LSS P48449 1/20 0.40
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40

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
Ether SCHEMBL11100608 0.94 ELANE (0.59) ELANEPTGS2PTGS1STSHPGD
SCHEMBL11103835 0.83 ELANE (0.50) ELANEPTGS2PTGS1STSHPGD
SCHEMBL10483687 0.79 ELANE (1.00) ELANEHPGDCYP1A2CYP2D6CYP2C19
SCHEMBL30677929 0.79 ELANE (1.00) ELANEHPGDCYP1A2CYP2D6CYP2C19
SCHEMBL11102209 0.77 ELANE (0.67) ELANEPTGS2PTGS1STSHPGD
SCHEMBL29006872 0.76 ALDH1A1 (0.44) CYP1A2CYP2D6TDP1ALDH1A1LMNA
SCHEMBL11102211 0.76 ELANE (0.41) ELANEPTGS2HPGDMEN1CYP3A4
SCHEMBL11349522 0.76 ELANE (0.59) ELANEPTGS2PTGS1HPGDMEN1
SCHEMBL10483684 0.76 ELANE (0.59) ELANEPTGS2PTGS1HPGDMEN1
SCHEMBL11249840 0.75 TSHR (0.54) ELANEPTGS2PTGS1STSHPGD

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-4385004-A Esters of ortho-allylphenol useful for the preparation of arylacetic acid derivatives CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1983-05-24 US claimed
US-4465855-A ANTIREUMATIC & ANTIINFLAMMATORIES CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1984-08-14 US disclosed
US-4385004-A Esters of ortho-allylphenol useful for the preparation of arylacetic acid derivatives CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1983-05-24 US disclosed
US-4317920-A ANTIRHEUMATIC AGENTS, ANTIINFLAMMATORY AGENTS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1982-03-02 US disclosed