SCHEMBL28018372

SCHEMBL28018372

NNC=CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.61
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ARG2 P78540 1/20 0.47
IDO1 P14902 3/20 0.44
CYP3A4 P08684 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
KDM1A O60341 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 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
SCHEMBL9416674 0.77 MAOB (0.61) MAOBCA1CA2ARG2IDO1
SCHEMBL13373175 0.77 MAOB (0.61) MAOBCA1CA2ARG2CYP3A4
SCHEMBL21637548 0.77 MAOB (0.61) MAOBCA1CA2ARG2CYP3A4
SCHEMBL1524697 0.77 MAOB (1.00) MAOBCA1CA2ARG2IDO1
SCHEMBL155054 0.77 MAOB (1.00) MAOBCA1CA2ARG2IDO1
SCHEMBL155055 0.77 MAOB (1.00) MAOBCA1CA2ARG2IDO1
SCHEMBL16291705 0.76 MAOB (0.75) MAOBCA1CA2ARG2IDO1
SCHEMBL221306 0.76 MAOB (0.75) MAOBCA1CA2ARG2IDO1
SCHEMBL221307 0.76 MAOB (0.75) MAOBCA1CA2ARG2IDO1
SCHEMBL6665970 0.76 MAOB (0.58) MAOBCA1CA2ARG2IDO1

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
CN-104546671-A Enhanced stability phenylephrine liquid compositions WYETH CORP 2015-04-29 CN disclosed