SCHEMBL9508795

SCHEMBL9508795

CCCCCCCC/C=C/c1ccccc1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.49
CYSLTR1 Q9Y271 2/20 0.49
BACE1 P56817 1/20 0.49
TSHR P16473 4/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
SOAT2 O75908 1/20 0.46
SOAT1 P35610 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
FAAH O00519 2/20 0.44
EPHX2 P34913 2/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 2/20 0.43
ALOX12 P18054 1/20 0.43
CNR1 P21554 3/20 0.43

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
SCHEMBL29141103 1.00 CYSLTR2 (0.49) CYSLTR2CYSLTR1BACE1TSHRALDH1A1
SCHEMBL9508803 1.00 CYSLTR2 (0.49) CYSLTR2CYSLTR1BACE1TSHRALDH1A1
SCHEMBL879908 0.94 BACE1 (0.51) CYSLTR2CYSLTR1BACE1TSHRALDH1A1
SCHEMBL10900181 0.88 BACE1 (0.53) BACE1TSHRALDH1A1LMNACYP1A2
SCHEMBL10900178 0.88 BACE1 (0.53) BACE1TSHRALDH1A1LMNACYP1A2
SCHEMBL9305141 0.86 TSHR (0.49) BACE1TSHRALDH1A1LMNASOAT2
SCHEMBL9504870 0.84 CYSLTR2 (0.55) CYSLTR2CYSLTR1ALDH1A1SOAT2SOAT1
SCHEMBL22439056 0.84 CYSLTR2 (0.55) CYSLTR2CYSLTR1ALDH1A1SOAT2SOAT1
SCHEMBL22439053 0.84 CYSLTR2 (0.55) CYSLTR2CYSLTR1ALDH1A1SOAT2SOAT1
SCHEMBL14672873 0.84 CYSLTR2 (0.55) CYSLTR2CYSLTR1ALDH1A1SOAT2SOAT1

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-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed