SCHEMBL31346161

SCHEMBL31346161

O=c1[nH]c(-c2cccc(C3Cc4cc(C(F)(F)F)ccc4O3)n2)no1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.35
PDE2A O00408 3/20 0.34
NR1I2 O75469 1/20 0.33
BRS3 P32247 1/20 0.33
CNR1 P21554 1/20 0.32
MAP3K5 Q99683 2/20 0.32
BACE1 P56817 1/20 0.32
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
CASP8 Q14790 1/20 0.32
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
MDM2 Q00987 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL31346157 1.00 RORC (0.35) RORCPDE2ANR1I2BRS3CNR1
SCHEMBL31346159 1.00 RORC (0.35) RORCPDE2ANR1I2BRS3CNR1
SCHEMBL31345974 0.86 TERT (0.36) RORCNR1I2BRS3CNR1MAP3K5
SCHEMBL31346059 0.82 FFAR1 (0.38) RORCPDE2ACNR1RARB
SCHEMBL31346041 0.82 FFAR1 (0.38) RORCPDE2ACNR1RARB
SCHEMBL31346077 0.80 NR1I2 (0.36) RORCPDE2ANR1I2BRS3CNR1
SCHEMBL31346035 0.80 SLC6A2 (0.36) PARP1MDM2
SCHEMBL31346092 0.80 BACE1 (0.32) MAP3K5BACE1CASP3CASP7CASP8
SCHEMBL31346094 0.80 BACE1 (0.32) MAP3K5BACE1CASP3CASP7CASP8
SCHEMBL31346047 0.76 TEAD1 (0.37) CASP3CASP7CASP8

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-4712967-A2 G-PROTEIN COUPLED RECEPTOR ANTAGONIST Enveda Therapeutics, Inc. (US) 2026-03-25 EP disclosed
WO-2024239000-A2 G-PROTEIN COUPLED RECEPTOR ANTAGONIST ENVEDA THERAPEUTICS, INC. (US) 2024-11-21 WO disclosed