SCHEMBL31037751

SCHEMBL31037751

CC1(C)OCC(C(O)c2ccccc2)N1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
NR3C1 P04150 1/20 0.36
GBA1 P04062 1/20 0.36
CYP2D6 P10635 2/20 0.36
HSD17B2 P37059 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NR1I2 O75469 1/20 0.35
ABCB11 O95342 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.34
EPHX1 P07099 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34

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
SCHEMBL2170846 0.85 HSD17B2 (0.40) L3MBTL1CYP2D6HSD17B2ALDH1A1KMT2A
SCHEMBL2170851 0.85 HSD17B2 (0.40) L3MBTL1CYP2D6HSD17B2ALDH1A1KMT2A
SCHEMBL31000581 0.81 HTR2C (0.47) CYP2D6LMNASMN1; SMN2ALDH1A1CYP2C9
SCHEMBL4595038 0.77 CYP2D6 (0.49) CYP2D6LMNA
SCHEMBL6256299 0.77 CYP2D6 (0.49) CYP2D6LMNA
SCHEMBL17937285 0.76 KMT2A (0.38) L3MBTL1CYP2D6HSD17B2POLBALDH1A1
SCHEMBL20538709 0.74 HTR2C (0.42) LMNA
SCHEMBL1810049 0.74 HTR2C (0.42) LMNA
SCHEMBL4594526 0.73 ALDH1A1 (0.35) L3MBTL1CYP2D6POLBLMNASMN1; SMN2
SCHEMBL19732975 0.73

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-4658667-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY Merck Sharp & Dohme LLC (US) 2025-12-10 EP disclosed
WO-2024163691-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY MERCK SHARP & DOHME LLC (US) 2024-08-08 WO disclosed