SCHEMBL25420756

SCHEMBL25420756

C[C@H](Cn1ccc2cc(OCc3ccc(F)cc3)ccc21)NC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 3/20 0.50
▸ PPARA Q07869 3/20 0.50
▸ BCL2 P10415 2/20 0.48
▸ MCL1 Q07820 2/20 0.48
▸ PPARG P37231 1/20 0.47
▸ ITGB3 P05106 1/20 0.45
▸ ITGAV P06756 1/20 0.45
▸ THRA P10827 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ MME P08473 1/20 0.43
▸ ACE P12821 1/20 0.43
▸ CPA1 P15085 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.43
▸ MAOB P27338 2/20 0.43
▸ MAOA P21397 1/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ FFAR1 O14842 1/20 0.43

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
SCHEMBL25420758 1.00 PPARD (0.50) PPARDPPARABCL2MCL1PPARG
SCHEMBL30488420 0.88 PPARD (0.46) PPARDPPARABCL2MCL1PPARG
SCHEMBL25420145 0.82 HTR2C (0.66) PPARDPPARAPPARGMAOBHTR2C
SCHEMBL30488389 0.82 HTR2C (0.66) PPARDPPARAPPARGMAOBHTR2C
SCHEMBL25420142 0.82 HTR2C (0.66) PPARDPPARAPPARGMAOBHTR2C
SCHEMBL30488390 0.80 HTR2C (0.47) PPARDPPARABCL2MCL1PPARG
SCHEMBL25421751 0.80 HTR2C (0.47) PPARDPPARABCL2MCL1PPARG
SCHEMBL25421755 0.80 HTR2C (0.47) PPARDPPARABCL2MCL1PPARG
SCHEMBL25424411 0.77 MEN1 (0.49) PPARDPPARAITGB3ITGAVHTR2C
SCHEMBL25424412 0.77 MEN1 (0.49) PPARDPPARAITGB3ITGAVHTR2C

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
WO-2023114238-A1 ARYLOXY PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2023-06-22 — — WO disclosed
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