SCHEMBL29259508

SCHEMBL29259508

COC(=O)C1C(C(=O)O)C1(C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.31
HIF1A Q16665 1/20 0.31
CCR6 P51684 1/20 0.30

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
SCHEMBL28427775 0.83 APLNR (0.38) HTTALDH1A1LMNAHSD17B10CYP1A2
SCHEMBL28433495 0.83 APLNR (0.38) HTTALDH1A1LMNAHSD17B10CYP1A2
SCHEMBL10692865 0.77 PPM1B (0.35) HTTPPM1BPTPN1PPP1CCKMT2A
SCHEMBL10329694 0.77 PPM1B (0.35) HTTPPM1BPTPN1PPP1CCKMT2A
SCHEMBL1261691 0.77 PPM1B (0.35) HTTPPM1BPTPN1PPP1CCKMT2A
SCHEMBL28019036 0.77 HTT (0.41) HTTPPM1BPTPN1PPP1CCKMT2A
Hydrochloric Acid SCHEMBL11134893 0.76 PPM1B (0.34) HTTPPM1BPTPN1PPP1CCKMT2A
SCHEMBL1286184 0.72 TDP1 (0.35) ALDH1A1LMNAHSD17B10POLBHIF1A
SCHEMBL25404094 0.71 CYP1A2 (0.36) HTTPPM1BPTPN1PPP1CCGAA
SCHEMBL25434703 0.71 CYP1A2 (0.36) HTTPPM1BPTPN1PPP1CCGAA

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-113149968-B Compound serving as ketohexokinase inhibitor and application thereof 博济医药科技股份有限公司 2024-06-04 CN disclosed