SCHEMBL21148532

SCHEMBL21148532

COc1ccc(CCCC(=N)OC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.57
ALDH1A1 P00352 2/20 0.53
F2RL1 P55085 1/20 0.51
PLAAT3 P53816 1/20 0.51
PLAAT5 Q96KN8 1/20 0.51
PLAAT2 Q9NWW9 1/20 0.51
PLAAT4 Q9UL19 1/20 0.51
CALM1 P0DP23 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.49
FFAR1 O14842 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL22201229 0.84 PLAAT3 (0.47) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL21149844 0.82 HDAC1 (0.58) ALOX5PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL21149328 0.81 PLAAT3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL21148548 0.81 LMNA (0.49) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL22201167 0.81 HDAC3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4KMT2A
SCHEMBL21157245 0.81 HTT (0.54) ALOX5ALDH1A1KMT2APOLBCYP3A4
SCHEMBL503646 0.80 ALOX5 (0.68) ALOX5ALDH1A1F2RL1PLAAT3PLAAT5
SCHEMBL6710455 0.79 ALOX5 (0.66) ALOX5ALDH1A1F2RL1PLAAT3PLAAT5
SCHEMBL22201204 0.78 HDAC1 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL22201278 0.78 MAPT (0.58) ALOX5PLAAT3PLAAT5PLAAT2PLAAT4

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
WO-2019135600-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME 기초과학연구원 2019-07-11 WO disclosed