SCHEMBL15925980

SCHEMBL15925980

CCC[C@@H](CO)NC(=O)Nc1ccc(OC)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.72
SMN1; SMN2 Q16637 3/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
TAS1R3 Q7RTX0 4/20 0.56
TAS1R1 Q7RTX1 4/20 0.56
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
ANPEP P15144 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
FPR2 P25090 2/20 0.51
CASR P41180 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 2/20 0.49
UTS2R Q9UKP6 1/20 0.48
TP53 P04637 1/20 0.48
ESR2 Q92731 1/20 0.48

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
SCHEMBL3075693 0.89 PKM (0.86) PKMSMN1; SMN2RAB9ANPC1TAS1R3
SCHEMBL20415806 0.83 PKM (0.68) PKMSMN1; SMN2RAB9ANPC1SAE1
SCHEMBL20415917 0.81 FPR2 (0.64) PKMNPC1SAE1UBA2KMT2A
SCHEMBL3063854 0.80 PKM (0.66) PKMSMN1; SMN2RAB9ANPC1SAE1
SCHEMBL13754509 0.80 PKM (0.66) PKMSMN1; SMN2RAB9ANPC1SAE1
SCHEMBL6016077 0.78 MAPK1 (0.56) PKMTAS1R3TAS1R1KMT2AMEN1
SCHEMBL18262738 0.78 FPR2 (0.74) PKMSMN1; SMN2RAB9ANPC1SAE1
SCHEMBL18262740 0.78 FPR2 (0.74) PKMSMN1; SMN2RAB9ANPC1SAE1
SCHEMBL20397813 0.78 PKM (0.60) PKMSMN1; SMN2RAB9ANPC1SAE1
SCHEMBL20397641 0.78 PKM (0.60) PKMSMN1; SMN2RAB9ANPC1SAE1

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
US-8796272-B2 Glycine transporter-inhibiting substances TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-08-05 US disclosed
US-8796272-B2 Glycine transporter-inhibiting substances TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-08-05 US disclosed