SCHEMBL11266587

SCHEMBL11266587

COc1ccc(-c2c(C)n(C)c3c(O)cccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.48
▸ MAOB P27338 1/20 0.44
▸ HPGD P15428 6/20 0.43
▸ KDM4E B2RXH2 6/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ CTSV O60911 3/20 0.42
▸ TSHR P16473 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ KLK7 P49862 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
SCHEMBL11272506 0.73 KDM4E (0.42) LMNAMAPTHPGDKDM4EALDH1A1
SCHEMBL11253942 0.72 HPGD (0.51) LMNAMAPTHPGDKDM4EALDH1A1
SCHEMBL29010555 0.71 HDAC4 (0.50) HPGDKDM4EALDH1A1KMT2AHDAC4
SCHEMBL1470672 0.71 ACHE (0.61) LMNAMAPTMAOBHPGDKDM4E
SCHEMBL29458789 0.71 ACHE (0.61) LMNAMAPTMAOBHPGDKDM4E
SCHEMBL22004933 0.71 ESR2 (0.67) LMNAMAPTMAOBHDAC4HDAC2
SCHEMBL4309836 0.69 ACHE (0.54) LMNAMAOBHPGDKDM4EALDH1A1
SCHEMBL23048393 0.69 TP53 (0.53) LMNAMAPTHPGDKDM4EALDH1A1
SCHEMBL13959824 0.69 BRAF (0.53) LMNAHPGDKDM4EALDH1A1KMT2A
SCHEMBL13241186 0.69 ACHE (0.54) LMNAMAPTMAOBHPGDHDAC4

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-0015523-B1 INDOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE FOR MEDICAMENTS Dr. Karl Thomae GmbH (DE) 1982-10-13 — — EP disclosed
US-4343811-A ATHEROSCLEROSIS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-10 — — US disclosed
EP-0015523-A1 Indole derivatives, their preparation and their use for medicaments Dr. Karl Thomae GmbH (DE) 1980-09-17 — — EP disclosed
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