SCHEMBL10695742

SCHEMBL10695742

CC(CC=O)NNc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 8/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ CTSD P07339 1/20 0.39
▸ PKM P14618 1/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ ALOX5 P09917 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL10762748 0.81 ALDH1A1 (0.50) GAASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL12310013 0.81 ALDH1A1 (0.50) GAASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL10901615 0.71 TDP1 (0.56) GAASMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL9063684 0.70 SIGMAR1 (0.61) GAASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL10696254 0.70 SIGMAR1 (0.61) GAASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL13675822 0.70 SIGMAR1 (0.61) GAASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL10696690 0.68 GAA (0.47) GAASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL10767986 0.68 TDP1 (0.48) GAASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL14637678 0.68 SIGMAR1 (0.64) SMN1; SMN2MEN1KMT2ATAAR1
SCHEMBL12706220 0.68 HPGD (0.64) SMN1; SMN2LMNAMEN1KMT2AALDH1A1

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
EP-0252482-A2 7-Acyloxy-6-aminoacyloxypolyoxylabdanes, process for their preparation and their use as medicine HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-13 — — EP disclosed
EP-0217372-A2 Polyoxygenated labdane derivatives, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-08 — — EP disclosed
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