SCHEMBL19956578

SCHEMBL19956578

NC(=O)c1ccc(C2OCCC3(CO2)COC(c2ccc(C(N)=O)cc2)OC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
APAF1 O14727 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C9 P11712 2/20 0.37
HPGD P15428 1/20 0.37
PARP1 P09874 2/20 0.36
TSHR P16473 2/20 0.35
PARP10 Q53GL7 4/20 0.33
PARP15 Q460N3 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PARP14 Q460N5 1/20 0.33
PARP16 Q8N5Y8 1/20 0.33
PARP11 Q9NR21 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
SCHEMBL517281 0.89 KMT2A (0.53) NPC1RAB9ASMN1; SMN2KMT2ACYP2C19
SCHEMBL8178904 0.74 MEN1 (0.60) NPC1RAB9ASMN1; SMN2KMT2ACYP2C19
SCHEMBL3765025 0.69 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4088776 0.68 TSHR (0.50) NPC1RAB9ASMN1; SMN2MAPK1HPGD
SCHEMBL517372 0.67 HPGD (0.56) NPC1RAB9ASMN1; SMN2KMT2ACYP2C19
SCHEMBL1429353 0.66 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1852594 0.66 PRKCI (0.41) NPC1RAB9ASMN1; SMN2KMT2ACYP2C19
SCHEMBL31553362 0.66 MPO (0.50) NPC1RAB9ASMN1; SMN2KMT2ACYP2C19
SCHEMBL517510 0.66 HPGD (0.59) KMT2AMEN1MAPTMAPK1HPGD
SCHEMBL6132176 0.65 MEN1 (0.63) NPC1RAB9ASMN1; SMN2KMT2ACYP2C19

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-2392458-B1 POLYPROPYLENE RESIN MOLDED ARTICLE NEW JAPAN CHEM CO LTD (JP) 2018-03-14 EP disclosed