SCHEMBL11488674

SCHEMBL11488674

C=C(OC(CC)CNC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ NAMPT P43490 1/20 0.44
▸ GAA P10253 2/20 0.44
▸ HPGD P15428 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NAAA Q02083 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PRSS1 P07477 3/20 0.40
▸ CTSG P08311 3/20 0.40
▸ CTRB1 P17538 3/20 0.40
▸ CMA1 P23946 3/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL11040893 0.85 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1NAMPTGAA
SCHEMBL18651717 0.81 NAMPT (0.60) SMN1; SMN2RAB9ANPC1NAMPTGAA
SCHEMBL25970067 0.74 RAB9A (0.59) SMN1; SMN2RAB9ANPC1GAAHPGD
SCHEMBL7121699 0.74 RAB9A (0.59) SMN1; SMN2RAB9ANPC1GAAHPGD
SCHEMBL799425 0.72 NAMPT (0.58) SMN1; SMN2RAB9ANPC1NAMPTGAA
SCHEMBL19349021 0.72 NAMPT (0.58) SMN1; SMN2RAB9ANPC1NAMPTGAA
SCHEMBL29280657 0.71 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1GAAHPGD
SCHEMBL27366046 0.71 RAB9A (0.56) SMN1; SMN2RAB9ANPC1GAAHPGD
SCHEMBL10872706 0.71 RAB9A (0.56) SMN1; SMN2RAB9ANPC1GAAHPGD
SCHEMBL8591354 0.71 HPGD (0.49) SMN1; SMN2RAB9ANPC1NAMPTHPGD

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-4188489-A Process for the production of 3-substituted amino-5-pyrazolones FUJI PHOTO FILM CO., LTD. (JP) 1980-02-12 — — US disclosed
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