SCHEMBL9505366

SCHEMBL9505366

CC(=O)CC(=O)N(C(=O)CC(C)=O)c1cccc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ PAX8 Q06710 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ TP53 P04637 1/20 0.43
▸ GPX4 P36969 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B1 P14061 2/20 0.41
▸ HSD17B2 P37059 2/20 0.41
▸ HPGD P15428 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 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
SCHEMBL28541364 0.85 HSD17B1 (0.50) ALDH1A1RAB9ANPC1PAX8HTT
SCHEMBL11429495 0.81 MAPT (0.44) ALDH1A1RAB9ANPC1HTTTP53
SCHEMBL11210194 0.80 CRHBP (0.44) RAB9ASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL9411919 0.80 MTNR1A (0.46) ALDH1A1RAB9ANPC1HTTTP53
SCHEMBL9998812 0.80 CRHBP (0.53) ALDH1A1RAB9ANPC1PAX8HTT
SCHEMBL11206968 0.79 MTNR1B (0.56) —
SCHEMBL8859203 0.78 RAB9A (0.44) ALDH1A1RAB9ANPC1PAX8HTT
SCHEMBL11247415 0.78 TSHR (0.41) ALDH1A1HTTHSD17B10LMNASMN1; SMN2
SCHEMBL11214201 0.78 LMNA (0.47) ALDH1A1HTTTP53HSD17B10LMNA
SCHEMBL8995832 0.74 HSD17B2 (0.41) HSD17B10KMT2AHSD17B1HSD17B2HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241419-B1 PIGMENTS CONTAINING PIPERIDYL GROUPS SANDOZ AG (CH) 1993-05-19 — — EP disclosed
US-4866113-A COLORING POLYMERS SANDOZ LTD. (CH) 1989-09-12 — — US disclosed
US-4838943-A Compounds useful as pigments containing one or more 2,2,6,6-tetraalkylpiperidine groups SANDOZ LTD. (CH) 1989-06-13 — — US disclosed
EP-0241419-A2 Pigments containing piperidyl groups SANDOZ AG (CH) 1987-10-14 — — EP disclosed
EP-0025164-B1 DISAZO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND USE HOECHST AKTIENGESELLSCHAFT (DE) 1983-04-13 — — EP disclosed
EP-0025164-A1 Disazo compounds, process for their preparation and use HOECHST AKTIENGESELLSCHAFT (DE) 1981-03-18 — — EP disclosed
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