SCHEMBL10945805

SCHEMBL10945805

CN(C)c1ccc(C(=O)OC2=C(c3ccc(Cl)c(Cl)c3)C(=O)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAD51 Q06609 1/20 0.40
▸ SLC6A3 Q01959 10/20 0.37
▸ SLC6A2 P23975 7/20 0.37
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SLC6A4 P31645 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL10946787 0.76 KMT2A (0.43) SLC6A3ALDH1A1HPGDMAPTKDM4E
SCHEMBL10898611 0.64 STK10 (0.42) ALDH1A1MAPTKDM4EGAATSHR
SCHEMBL9668688 0.64 ALDH1A1 (0.40) ALDH1A1HPGDMAPTPOLBTDP1
SCHEMBL10947522 0.63 PGR (0.42) SLC6A3SLC6A2HPGDMAPT
SCHEMBL21026201 0.62 ALDH1A1 (0.66) HDAC1HDAC6ALDH1A1HPGDMAPT
SCHEMBL2744939 0.61 NPC1 (0.49) HDAC1HDAC6ALDH1A1HPGDMAPT
SCHEMBL9098080 0.61 ALDH1A1 (0.40) HDAC1HDAC6ALDH1A1HPGDMAPT
SCHEMBL9669096 0.61 ALDH1A1 (0.40) ALDH1A1HPGDMAPTPOLBTDP1
SCHEMBL9699014 0.61 ALDH1A1 (0.64) HDAC1HDAC6ALDH1A1HPGDMAPT
SCHEMBL9507663 0.60 KMO (0.51) SLC6A3HDAC1HDAC6ALDH1A1SLC6A4

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
US-4526723-A Microbiocides UNION CARBIDE CORPORATION (US) 1985-07-02 — — US disclosed
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