SCHEMBL7181787

SCHEMBL7181787

O=C(NC1CC1)c1cccc(C(=O)NC2CC2)c1C(=O)NC1CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.64
ALDH1A1 P00352 5/20 0.54
HPGD P15428 4/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
KDM4E B2RXH2 3/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
GAA P10253 4/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TAS1R2 Q8TE23 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PKM P14618 1/20 0.50
SMYD3 Q9H7B4 1/20 0.48
APOBEC3G Q9HC16 1/20 0.47

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
SCHEMBL7189493 0.92 ALDH1A1 (0.60) P2RX7ALDH1A1HPGDNPC1RAB9A
SCHEMBL7181153 0.91 TAS1R3 (0.63) P2RX7ALDH1A1HPGDNPC1RAB9A
SCHEMBL7187483 0.91 ALDH1A1 (0.68) P2RX7ALDH1A1HPGDNPC1RAB9A
SCHEMBL4048976 0.78 NPC1 (0.83) P2RX7ALDH1A1HPGDNPC1RAB9A
SCHEMBL936525 0.78 TAS1R3 (0.57) P2RX7ALDH1A1HPGDNPC1RAB9A
SCHEMBL13544567 0.78 GAA (0.58) P2RX7ALDH1A1HPGDNPC1RAB9A
SCHEMBL534385 0.78 P2RX7 (1.00) P2RX7ALDH1A1HPGDNPC1RAB9A
SCHEMBL3170903 0.78 P2RX7 (0.57) P2RX7ALDH1A1HPGDNPC1RAB9A
SCHEMBL2747078 0.78 DRD4 (0.67) ALDH1A1HPGDKDM4EKMT2A
SCHEMBL1987660 0.78 TAS1R3 (0.64) P2RX7ALDH1A1HPGDNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1366116-A2 POLYPROPYLENE RESIN COMPOSITIONS Ciba SC Holding AG (CH) 2003-12-03 EP disclosed
WO-2002046300-A2 POLYPROPYLENE RESIN COMPOSITIONS CIBA SPECIALITY CHEMICALS HOLDING INC. (CH) 2002-06-13 WO disclosed