SCHEMBL31133239

SCHEMBL31133239

COC(=O)c1cc(CO[Si](C)(C)C(C)(C)C)ncc1Cl

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.34
CNR2 P34972 2/20 0.34
ATR Q13535 1/20 0.34
KMT2A Q03164 2/20 0.33
NQO2 P16083 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PLA2G2A P14555 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABL1 P00519 1/20 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
SCHEMBL31133002 1.00 MRGPRX4 (0.36) MRGPRX4MAPTALDH1A1TSHRGAA
SCHEMBL31133153 0.86 MRGPRX4 (0.34) MRGPRX4MAPTALDH1A1LMNATP53
SCHEMBL31132999 0.86 MRGPRX4 (0.34) MRGPRX4MAPTALDH1A1LMNATP53
SCHEMBL24769678 0.79 ALDH1A1 (0.43) MRGPRX4MAPTALDH1A1TSHRGAA
SCHEMBL30017097 0.79 ALDH1A1 (0.40) MRGPRX4MAPTALDH1A1TSHRGAA
SCHEMBL24770163 0.79 ALDH1A1 (0.40) MRGPRX4MAPTALDH1A1TSHRGAA
SCHEMBL4918571 0.77 CYP4F2 (0.39) MRGPRX4MAPTALDH1A1TSHRGAA
SCHEMBL14966057 0.76 PTGES (0.39) MRGPRX4MAPTALDH1A1TSHRGAA
SCHEMBL336341 0.75 MRGPRX4 (0.34) MRGPRX4ALDH1A1CNR2KMT2ATP53
SCHEMBL14969463 0.74 ATR (0.48) TSHRATRLMNAPOLB

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-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 EP disclosed
WO-2024226914-A2 MRGPRX2 ANTAGONISTS AND METHODS OF USE THEREOF SEPTERNA, INC. (US) 2024-10-31 WO disclosed