SCHEMBL9724825

SCHEMBL9724825

[CH2][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1OC

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
IDO1 P14902 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 3/20 0.50
ALOX15 P16050 1/20 0.49

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
SCHEMBL16993931 0.83 TSHR (0.55) TSHRMAPTTDP1IDO1MEN1
SCHEMBL30452554 0.83 TSHR (0.55) TSHRMAPTTDP1IDO1MEN1
SCHEMBL9724867 0.81 MME (0.54) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL18261160 0.81 IDO1 (0.58) TSHRMAPTTDP1IDO1MEN1
SCHEMBL9724959 0.80 GAA (0.55) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL11580793 0.80 NPC1 (0.63) TSHRMAPTMEN1KMT2ANPC1
SCHEMBL6373420 0.78 ALDH1A1 (0.76) MEN1KMT2AALDH1A1ALOX15
SCHEMBL6373428 0.78 ALDH1A1 (0.76) MEN1KMT2AALDH1A1ALOX15
SCHEMBL6379825 0.78 ALDH1A1 (0.76) MEN1KMT2AALDH1A1ALOX15
SCHEMBL9724796 0.78 HDAC1 (0.52) NPC1RAB9A

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-5098934-A Enkephalinase inhibitors as analgesics or anticargcinogenic agents ROUSSEL UCLAF (FR) 1992-03-24 US disclosed