SCHEMBL22804117

SCHEMBL22804117

NCCCC[C@H](C(=O)O)N(C(=O)OCc1ccccc1)C(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.40
▸ EPOR P19235 3/20 0.40
▸ TPSAB1 Q15661 2/20 0.39
▸ TPSD1 Q9BZJ3 2/20 0.39
▸ TPSG1 Q9NRR2 2/20 0.39
▸ ACE P12821 1/20 0.38
▸ FOLH1 Q04609 4/20 0.36
▸ SLC1A3 P43003 1/20 0.34
▸ SLC1A2 P43004 1/20 0.34
▸ SLC1A1 P43005 1/20 0.34
▸ DPP8 Q6V1X1 2/20 0.34
▸ DPP7 Q9UHL4 2/20 0.34
▸ ITGB3 P05106 2/20 0.33
▸ ITGA2B P08514 2/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ ECE1 P42892 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
SCHEMBL22804103 1.00 PNMT (0.40) PNMTEPORTPSAB1TPSD1TPSG1
SCHEMBL28505614 1.00 PNMT (0.40) PNMTEPORTPSAB1TPSD1TPSG1
SCHEMBL28505627 0.97 PNMT (0.41) PNMTEPORTPSAB1TPSD1TPSG1
SCHEMBL28503693 0.96 PNMT (0.43) PNMTEPORTPSAB1TPSD1TPSG1
SCHEMBL22804084 0.93 PNMT (0.44) PNMTEPORTPSAB1TPSD1TPSG1
SCHEMBL28507435 0.93 PNMT (0.44) PNMTEPORTPSAB1TPSD1TPSG1
SCHEMBL29637206 0.90 TPSAB1 (0.42) PNMTEPORTPSAB1TPSD1TPSG1
SCHEMBL28377892 0.90 TPSAB1 (0.42) PNMTEPORTPSAB1TPSD1TPSG1
SCHEMBL31549859 0.89 PNMT (0.38) PNMTEPORTPSAB1TPSD1TPSG1
SCHEMBL28506571 0.87 TPSAB1 (0.41) PNMTEPORTPSAB1TPSD1TPSG1

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-2020252713-A1 MODIFIED HYDROPHOBIC AUXILIARY MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江智达药业有限公司 2020-12-24 — — WO disclosed
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