SCHEMBL9878246

SCHEMBL9878246

C=CCOc1ccc(OC(=O)c2ccc(-c3ccc(CC(C)CC)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 10/20 0.47
▸ PPARA Q07869 10/20 0.47
▸ PPARG P37231 8/20 0.47
▸ MAPT P10636 4/20 0.43
▸ THRB P10828 2/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ ADRB3 P13945 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ KMT2A Q03164 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL12225731 1.00 PPARD (0.47) PPARDPPARAPPARGMAPTTHRB
SCHEMBL9878245 1.00 PPARD (0.47) PPARDPPARAPPARGMAPTTHRB
SCHEMBL12225733 0.96 ADRB2 (0.46) PPARDPPARAPPARGMAPTTHRB
SCHEMBL8940379 0.90 ADRB2 (0.48) MAPTTHRBADRB2ADRB1ADRB3
SCHEMBL9879291 0.90 ADRB2 (0.48) MAPTTHRBADRB2ADRB1ADRB3
SCHEMBL9879287 0.90 ADRB2 (0.48) MAPTTHRBADRB2ADRB1ADRB3
SCHEMBL8940376 0.90 ADRB2 (0.48) MAPTTHRBADRB2ADRB1ADRB3
SCHEMBL9878128 0.89 MAPT (0.46) PPARDPPARAPPARGMAPTTHRB
SCHEMBL9878125 0.89 MAPT (0.46) PPARDPPARAPPARGMAPTTHRB
SCHEMBL9878294 0.89 MAPT (0.44) PPARDPPARAPPARGMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5013476-A Ferroelectric properties, electro-optical indicating device HOFFMANN-LA ROCHE INC. (US) 1991-05-07 — — US disclosed
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