SCHEMBL6209294

SCHEMBL6209294

Cc1ccc(C[C@@H](O)c2cc3cc(-c4cccc(C)c4)ccc3[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MME P08473 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ FFAR1 O14842 2/20 0.38
▸ SIRT2 Q8IXJ6 2/20 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
SCHEMBL6258634 0.84 PPARG (0.41) NPC1RAB9ASMN1; SMN2PPARGPPARA
SCHEMBL5097282 0.75 LOXL2 (0.47) NPC1RAB9ASMN1; SMN2MEN1MAPT
SCHEMBL6212593 0.70 RAB9A (0.44) NPC1RAB9ASMN1; SMN2MEN1MAPT
SCHEMBL5093602 0.68 KDM4E (0.52) NPC1RAB9ASMN1; SMN2TSHRPPARG
SCHEMBL16382893 0.68 MEN1 (0.56) NPC1RAB9ASMN1; SMN2PPARGMEN1
SCHEMBL6209545 0.67 PYGL (0.50) FFAR1
SCHEMBL13680545 0.66 CA12 (0.67) NPC1RAB9AMAPTSIRT2DHODH
SCHEMBL23003863 0.66 ACHE (0.55) NPC1RAB9ASMN1; SMN2TSHRPPARG
SCHEMBL29929976 0.66 ACHE (0.55) NPC1RAB9ASMN1; SMN2TSHRPPARG
SCHEMBL5545442 0.66 ACHE (0.55) NPC1RAB9ASMN1; SMN2TSHRPPARG

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-1569639-A2 SUBSTITUTED DIHYDROPYRANO INDOLE-3,4-DIONE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2005-09-07 — — EP disclosed
WO-2004052893-A2 SUBSTITUTED DIHYDROPYRANO INDOLE-3,4-DIONE DERIVATIVES AND 3-OXOACETIC ACID SUBSTITUTED 2-HYDROXYMETHYLINDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2004-06-24 — — WO disclosed
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