SCHEMBL11208904

SCHEMBL11208904

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL11211110 0.85 HSD17B10 (0.45) LMNATP53CYP1A2MAPTHTT
SCHEMBL11434471 0.84 TDP1 (0.45) NPC1RAB9ACYP3A4KDM4ELMNA
SCHEMBL4074003 0.81 SMN1; SMN2 (0.39) CYP2C9LMNATP53CYP1A2MAPT
SCHEMBL7595407 0.78 TSHR (0.41) LMNAMAPTHTTMEN1KMT2A
SCHEMBL29465883 0.75 ALDH1A1 (0.41) CYP2C9NPC1RAB9ACYP3A4KDM4E
SCHEMBL11332144 0.75 ALDH1A1 (0.40) CYP2C9KDM4ELMNAMAPTHTT
SCHEMBL27393718 0.74 CYP2C9 (0.44) CYP2C9NPC1RAB9ACYP3A4KDM4E
SCHEMBL11206968 0.74 MTNR1B (0.56) MTNR1AMTNR1B
SCHEMBL28434079 0.74 TRPM8 (0.45) NPC1RAB9ACYP3A4KDM4ELMNA
SCHEMBL2975268 0.74 PAX8 (0.44) TP53MAPTHTTMEN1KMT2A

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-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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