SCHEMBL19771684

SCHEMBL19771684

Nc1ccc(CC(NC(=O)COCCOC(=O)c2ccc(N)cc2)C(=O)OCCOCC(O)Oc2ccc(N)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ LMNA P02545 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ ADRB2 P07550 3/20 0.38
▸ ADRB1 P08588 3/20 0.38
▸ ADRB3 P13945 3/20 0.38
▸ SCN1A P35498 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ SCN3A Q9NY46 1/20 0.37
▸ PHLPP2 Q6ZVD8 1/20 0.35
▸ LNPEP Q9UIQ6 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAOA P21397 2/20 0.34

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
SCHEMBL11921776 0.86 NPC1 (0.40) NPC1RAB9ALMNATSHRCYP1A2
SCHEMBL11921787 0.78 LMNA (0.36) NPC1RAB9ALMNATSHRCYP1A2
SCHEMBL11925961 0.75 TMPRSS15 (0.35) —
SCHEMBL11921774 0.74 GAA (0.43) LMNATSHRCYP1A2CYP3A4CYP2C9
SCHEMBL20365629 0.72 ITGB3 (0.34) NPC1RAB9ALMNATSHRCYP1A2
SCHEMBL11921775 0.72 ITGB3 (0.45) NPC1RAB9ALMNATSHRCYP1A2
SCHEMBL11921762 0.70 PRSS1 (0.34) —
SCHEMBL16270512 0.67 CYP1A2 (0.55) NPC1RAB9ALMNATSHRCYP1A2
SCHEMBL9420518 0.67 NPC1 (0.67) NPC1RAB9ALMNATSHRCYP1A2
SCHEMBL1807523 0.67 NPC1 (0.67) NPC1RAB9ALMNATSHRCYP1A2

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-9868696-B2 Amino acid derivatives and absorbable polymers therefrom Bezwada Biomedial, LLC (US) 2018-01-16 — — US disclosed
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