SCHEMBL31346148

SCHEMBL31346148

O=C(O)c1cc(C2Cc3cc(C(F)(F)F)ccc3O2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
PPARD Q03181 1/20 0.38
PTGER1 P34995 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMO O15229 2/20 0.36
ASPH Q12797 2/20 0.35
KDM8 Q8N371 2/20 0.35
RIOX2 Q8IUF8 1/20 0.35
FFAR1 O14842 4/20 0.35
AR P10275 1/20 0.35
ALKBH5 Q6P6C2 2/20 0.35
FTO Q9C0B1 2/20 0.35
ALKBH2 Q6NS38 1/20 0.35
ALKBH3 Q96Q83 1/20 0.35
KDM6B O15054 1/20 0.35
TET3 O43151 1/20 0.35

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
SCHEMBL31346045 0.81 TEAD1 (0.37)
SCHEMBL31346066 0.80 TDP1 (0.42) MRGPRX4PTGS1PTGS2KMOALKBH5
SCHEMBL31345978 0.79 CFTR (0.49) MRGPRX4PTGS1PTGS2ALDH1A1KMO
SCHEMBL31346099 0.79 CFTR (0.49) MRGPRX4PTGS1PTGS2ALDH1A1KMO
SCHEMBL31346039 0.78 SCN10A (0.33) PPARD
SCHEMBL31346095 0.77 MRGPRX4 (0.40) MRGPRX4PTGS1PTGS2PPARDKDM4E
SCHEMBL31345979 0.77 CYP11B1 (0.44) PTGS1PTGS2PTGER1ALDH1A1FFAR1
SCHEMBL31345959 0.74 PARP1 (0.51) MRGPRX4FFAR1ARCYP11B1CYP11B2
SCHEMBL31345984 0.71 PNMT (0.35) PTGS1PTGS2AR
SCHEMBL29537506 0.71 KDM4E (0.55) MRGPRX4PTGER1KDM4EALDH1A1SMN1; SMN2

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