SCHEMBL17354913

SCHEMBL17354913

C=Cc1ccc(CN(CC=O)CC(=O)OC2CCOC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ TSHR P16473 2/20 0.36
▸ POLB P06746 2/20 0.35
▸ HPGD P15428 3/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GAA P10253 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL17354914 0.73 PSMD14 (0.35) ALDH1A1TSHRPOLBTDP1
SCHEMBL17540304 0.73 SMN1; SMN2 (0.38) MAPK1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1895801 0.72 POLB (0.64) CYP1A2CYP2C19SMN1; SMN2ALDH1A1KDM4E
SCHEMBL24812553 0.68 POLB (0.57) MAPK1SMN1; SMN2ALDH1A1KDM4ETSHR
SCHEMBL14355755 0.67 NR1D1 (0.43) ALDH1A1
SCHEMBL9963794 0.66 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1KDM4ETSHRPOLB
SCHEMBL19398652 0.66 CYP4F2 (0.41) SMN1; SMN2ALDH1A1KDM4EPOLBHSD17B10
SCHEMBL1899432 0.66 POLB (0.54) SMN1; SMN2ALDH1A1KDM4ETSHRPOLB
SCHEMBL12531258 0.65 CYP4F2 (0.40) SMN1; SMN2ALDH1A1KDM4EPOLBHSD17B10
SCHEMBL7747596 0.64 MAPK1 (0.61) MAPK1CYP1A2CYP2C9CYP2C19SMN1; SMN2

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-1396756-B1 Planographic printing plate precursor FUJIFILM CORP (JP) 2015-12-23 — — EP disclosed
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