SCHEMBL16998455

SCHEMBL16998455

NC(=O)N1C(=O)[C@H](CCc2cccc(Cl)c2)[C@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 7/20 0.45
▸ TPSD1 Q9BZJ3 7/20 0.45
▸ TPSG1 Q9NRR2 7/20 0.45
▸ KDM4E B2RXH2 2/20 0.42
▸ GRM2 Q14416 1/20 0.42
▸ GRM3 Q14832 1/20 0.42
▸ HTR3E A5X5Y0 1/20 0.42
▸ HTR3B O95264 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ HTR3D Q70Z44 1/20 0.42
▸ HTR3C Q8WXA8 1/20 0.42
▸ TAAR1 Q96RJ0 5/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ GLA P06280 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL16997618 0.80 TPSAB1 (0.44) TPSAB1TPSD1TPSG1KDM4ETAAR1
SCHEMBL16997623 0.79 TPSAB1 (0.41) TPSAB1TPSD1TPSG1KDM4ETAAR1
SCHEMBL16997584 0.79 CCR5 (0.40) TPSAB1TPSD1TPSG1TAAR1KMT2A
SCHEMBL27045041 0.79 TPSAB1 (0.41) TPSAB1TPSD1TPSG1KDM4ETAAR1
SCHEMBL27046678 0.75 PNMT (0.45) KDM4EGRM2GRM3HTR3EHTR3B
SCHEMBL24092116 0.74 F11 (0.43) TPSAB1TPSD1TPSG1GRM2GRM3
SCHEMBL17002084 0.74 F11 (0.43) TPSAB1TPSD1TPSG1GRM2GRM3
SCHEMBL16997578 0.74 F11 (0.43) TPSAB1TPSD1TPSG1GRM2GRM3
SCHEMBL27047238 0.74 F11 (0.43) TPSAB1TPSD1TPSG1GRM2GRM3
SCHEMBL16998931 0.73 F11 (0.44) TPSAB1TPSD1TPSG1GRM2GRM3

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-2015120062-A2 THERAPEUTIC COMPOUNDS AND COMPOSITIONS eXIthera Pharmaceuticals Inc. (US) 2015-08-13 — — WO disclosed
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