SCHEMBL2217031

SCHEMBL2217031

O=C(O)CC(CC(=O)O)c1cc(Cl)ncc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 4/20 0.38
GABBR1 Q9UBS5 4/20 0.38
LMNA P02545 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
NFKB1 P19838 1/20 0.38
DRD3 P35462 1/20 0.38
BLM P54132 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSA P10619 6/20 0.36
NAPRT Q6XQN6 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2217025 0.76 FOLH1 (0.34) LMNACYP3A4NFKB1CYP1A2CYP2D6
SCHEMBL15061221 0.71 KMT2A (0.49) LMNACYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL939692 0.70 FABP4 (0.39) LMNACYP2C9CYP1A2NAPRTL3MBTL1
SCHEMBL6581667 0.70 GABBR2 (0.51) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL9722631 0.70 CYP3A4 (0.36) LMNACYP3A4ADORA3NFKB1BLM
SCHEMBL2217027 0.69 MEN1 (0.32) MEN1KMT2ANAPRT
SCHEMBL2737360 0.69 GABRA1 (0.37) LMNA
SCHEMBL7142534 0.68 AKR1C4 (0.47) GABBR2GABBR1LMNACYP2C9CYP3A4
SCHEMBL29411268 0.67 ALDH1A1 (0.47) LMNAMEN1TSHRKMT2ANAPRT
SCHEMBL1300053 0.67 ALDH1A1 (0.47) LMNAMEN1TSHRKMT2ANAPRT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709046-B1 P38 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-07-27 EP disclosed