SCHEMBL11545855

SCHEMBL11545855

CCOC(=O)c1ccc[nH]c1=O.Oc1ccc(-c2ccccc2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 4/20 0.44
TSHR P16473 1/20 0.44
CCR6 P51684 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
CLEC4M Q9H2X3 1/20 0.44
GAA P10253 2/20 0.43
MDM2 Q00987 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
FGB P02675 1/20 0.41

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
SCHEMBL11542451 0.87 CDC25B (0.50) CDC25BNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL930113 0.81 TSHR (0.61) NPC1RAB9ASMN1; SMN2KDM4ETSHR
SCHEMBL11537057 0.81 KDM4E (0.44) CDC25BNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11541620 0.81 KDM4E (0.47) CDC25BNPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL4428342 0.80 TSHR (0.59) NPC1RAB9ASMN1; SMN2KDM4ETSHR
SCHEMBL11544372 0.78 ALOX5 (0.48) CDC25BNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23484418 0.73 TSHR (0.61) CDC25BNPC1RAB9AKDM4ETSHR
SCHEMBL396552 0.71 TSHR (0.69) NPC1RAB9ASMN1; SMN2KDM4ETSHR
Bicarbonate SCHEMBL27449726 0.70 TSHR (0.67) NPC1RAB9ASMN1; SMN2KDM4ETSHR
SCHEMBL4465565 0.70 CDC25B (0.69) CDC25BKDM4ETSHRCCR6ALDH1A1

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-4169893-A ANTIALLERGENS SANDOZ, INC. (US) 1979-10-02 US disclosed