SCHEMBL31568518

SCHEMBL31568518

O=C(O)c1ccccc1COc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 5/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ TP53 P04637 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ RAB9A P51151 1/20 0.49
▸ HPGD P15428 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ TRPM8 Q7Z2W7 1/20 0.48
▸ LIPE Q05469 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ SORT1 Q99523 1/20 0.46
▸ PPARG P37231 1/20 0.44

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
SCHEMBL31568457 0.80 MRGPRX4 (1.00) MRGPRX4SMN1; SMN2TP53RAB9AHPGD
SCHEMBL22469762 0.80 MRGPRX4 (1.00) MRGPRX4SMN1; SMN2TP53RAB9AHPGD
SCHEMBL8370605 0.80 HIF1A (0.50) MRGPRX4SMN1; SMN2RAB9AHPGDLIPE
SCHEMBL8370602 0.80 HIF1A (0.50) MRGPRX4SMN1; SMN2RAB9AHPGDLIPE
SCHEMBL6743790 0.79 MRGPRX4 (0.71) MRGPRX4SMN1; SMN2HTTRAB9AHPGD
SCHEMBL31568500 0.78 MRGPRX4 (0.62) MRGPRX4TP53HTTHPGDLIPE
SCHEMBL3945751 0.74 MRGPRX4 (0.49) MRGPRX4SMN1; SMN2RAB9AHPGDGLA
SCHEMBL7535658 0.74 MRGPRX4 (0.43) MRGPRX4SMN1; SMN2RAB9AHPGDLIPE
SCHEMBL8942464 0.73 MRGPRX4 (0.66) MRGPRX4SMN1; SMN2RAB9AHPGDGLA
SCHEMBL10985263 0.72 RAB9A (0.70) MRGPRX4SMN1; SMN2HTTRAB9AHPGD

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
CN-113939288-B Modulators of MAS-related G protein receptor X4 and related products and methods 伊赛恩特制药公司 2025-04-25 — — CN disclosed
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