SCHEMBL31429136

SCHEMBL31429136

OC1CCC1Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.44
PTGS2 P35354 6/20 0.44
MT-CO1 P00395 1/20 0.44
MT-CO2 P00403 1/20 0.44
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.39
POLB P06746 2/20 0.38
TRPA1 O75762 1/20 0.38
IDO1 P14902 1/20 0.37
PPARG P37231 1/20 0.36
GBA1 P04062 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36

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
SCHEMBL5131364 0.89 PTGS1 (0.53) PTGS1PTGS2MT-CO1MT-CO2LMNA
SCHEMBL29016930 0.79 GBA1 (0.55) PTGS1PTGS2MT-CO1MT-CO2GBA1
SCHEMBL6980342 0.77 LMNA (0.36) PTGS1PTGS2MT-CO1MT-CO2LMNA
SCHEMBL28628039 0.72 PYCR1 (0.37) PTGS1PTGS2LMNAALDH1A1TSHR
SCHEMBL22124517 0.72 PYCR1 (0.37) PTGS1PTGS2LMNAALDH1A1TSHR
Methyl Alcohol SCHEMBL8945235 0.72 TRPA1 (0.48) LMNAALDH1A1TSHRTRPA1PPARG
Methyl Alcohol SCHEMBL8945240 0.72 TRPA1 (0.48) LMNAALDH1A1TSHRTRPA1PPARG
Methyl Alcohol SCHEMBL8945244 0.72 TRPA1 (0.48) LMNAALDH1A1TSHRTRPA1PPARG
SCHEMBL18790507 0.72 CXCR3 (0.39) LMNAALDH1A1POLB
SCHEMBL1119467 0.72 ALDH1A1 (0.59) LMNAALDH1A1TSHRPOLBIDO1

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-119899088-A Method for preparing cyclopropyl formaldehyde derivative by electrically-promoted ring contraction of alkenyl cyclobutyl alcohol 重庆医科大学 2025-04-29 CN disclosed