SCHEMBL11211110

SCHEMBL11211110

COc1ccc(OC)c(N(C(=O)CC(C)=O)C(=O)CC(C)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.45
▸ MTNR1A P48039 1/20 0.45
▸ MTNR1B P49286 1/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ JUN P05412 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL2975268 0.85 PAX8 (0.44) HSD17B10MTNR1AMTNR1BNPSR1KMT2A
SCHEMBL11208904 0.85 CYP2C9 (0.40) HSD17B10MTNR1AMTNR1BKMT2AALDH1A1
SCHEMBL11434471 0.84 TDP1 (0.45) KMT2AALDH1A1MAPTMAPK1TP53
SCHEMBL11705566 0.84 ALDH1A1 (0.56) NPSR1KMT2AALDH1A1MAPTHTT
SCHEMBL11596353 0.81 KDM4E (0.50) MTNR1AMTNR1BKMT2AALDH1A1MAPT
SCHEMBL11222060 0.77 HSD17B1 (0.46) MTNR1AMTNR1BALDH1A1MAPTCYP1A2
SCHEMBL11206968 0.74 MTNR1B (0.56) MTNR1AMTNR1B
SCHEMBL27572161 0.73 MAPT (0.46) HSD17B10MTNR1AMTNR1BNPSR1KMT2A
SCHEMBL5406017 0.71 KMT2A (0.73) NPSR1KMT2AALDH1A1MAPTHTT
SCHEMBL24325399 0.71 HSD17B10 (0.43) HSD17B10MTNR1AMTNR1BNPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4221709-A Azo pigments DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 1980-09-09 — — US disclosed
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