SCHEMBL31037745

SCHEMBL31037745

O=C(O)NC(CO)C(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MARS2 Q96GW9 1/20 0.47
CYP2C19 P33261 1/20 0.47
AOC3 Q16853 1/20 0.46
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
RPLP1 P05386 1/20 0.43
RPLP0 P05388 1/20 0.43
RPS17 P08708 1/20 0.43
RPSA P08865 1/20 0.43
RPS2 P15880 1/20 0.43
RPL35A P18077 1/20 0.43
RPL7 P18124 1/20 0.43
RPL17 P18621 1/20 0.43
RPS4Y1 P22090 1/20 0.43
RPS3 P23396 1/20 0.43

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
SCHEMBL14393697 0.86 LMNA (0.48) LMNAALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL13649416 0.86 LMNA (0.48) LMNAALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL14393834 0.86 LMNA (0.48) LMNAALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL9836784 0.84 ALDH1A1 (0.65) LMNAALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL23272194 0.84 MEN1 (0.43) LMNAALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL23272197 0.84 MEN1 (0.43) LMNAALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL18796524 0.83 TACR1 (0.43) LMNATSHRROCK2ROCK1L3MBTL1
SCHEMBL14338229 0.83 TSHR (0.52) LMNAALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL14338191 0.83 TSHR (0.52) LMNAALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL12862945 0.83 TSHR (0.52) LMNAALDH1A1TSHRSMN1; SMN2CYP3A4

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