SCHEMBL31346140

SCHEMBL31346140

O=S(=O)(Cl)c1cccc(C2Cc3cc(C(F)(F)F)ccc3O2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
PKLR P30613 1/20 0.36
FFAR1 O14842 3/20 0.36
HTR1A P08908 1/20 0.35
CYP19A1 P11511 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
STS P08842 1/20 0.34
TEAD1 P28347 1/20 0.34
HTR6 P50406 1/20 0.34
MAOB P27338 3/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33

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
SCHEMBL31346121 0.88 CA2 (0.41) PKMPKLRFFAR1HTR1ACYP19A1
SCHEMBL31345956 0.82 LMNA (0.34) PKMPKLRHTR1ACA1CA2
SCHEMBL31346002 0.79 TEAD1 (0.42) FFAR1HTR1ACYP19A1NPC1RAB9A
SCHEMBL31345963 0.79 TEAD1 (0.42) FFAR1HTR1ACYP19A1NPC1RAB9A
SCHEMBL31346099 0.78 CFTR (0.49) FFAR1AR
SCHEMBL31345978 0.78 CFTR (0.49) FFAR1AR
SCHEMBL31345959 0.77 PARP1 (0.51) FFAR1CYP19A1AR
SCHEMBL31345995 0.76 CYP19A1 (0.45) FFAR1HTR1ACYP19A1TEAD1
SCHEMBL31346117 0.76 CYP19A1 (0.45) FFAR1HTR1ACYP19A1TEAD1
SCHEMBL31346025 0.75 HDAC8 (0.45) FFAR1

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