SCHEMBL31009744

SCHEMBL31009744

CCCOC(=O)[C@@H]1CCC(C)[C@@H](C)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPM1B O75688 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ PPP1CC P36873 1/20 0.45
▸ EPHX2 P34913 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NAAA Q02083 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL17131599 1.00 PPM1B (0.45) PPM1BPTPN1PPP1CCEPHX2ALDH1A1
SCHEMBL17111647 0.90 NAAA (0.42) PPM1BPTPN1PPP1CCEPHX2ALDH1A1
SCHEMBL31009648 0.90 NAAA (0.42) PPM1BPTPN1PPP1CCEPHX2ALDH1A1
SCHEMBL1245668 0.87 PPM1B (0.47) PPM1BPTPN1PPP1CCEPHX2ALDH1A1
SCHEMBL1246374 0.86 PPM1B (0.43) PPM1BPTPN1PPP1CCEPHX2ALDH1A1
SCHEMBL17131603 0.85 MAPT (0.45) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL31009727 0.85 MAPT (0.45) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL16134086 0.85 MAPT (0.45) PPM1BPTPN1PPP1CCALDH1A1MAPT
SCHEMBL27791144 0.83 PPM1B (0.48) PPM1BPTPN1PPP1CCEPHX2ALDH1A1
SCHEMBL526510 0.82 PPM1B (0.55) PPM1BPTPN1PPP1CCALDH1A1MAPT

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
EP-3521409-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2024-08-14 — — EP disclosed
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