SCHEMBL11608437

SCHEMBL11608437

CCOC(=O)C1C2CCC(C3OC23)C1C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PPM1B O75688 2/20 0.54
▸ PTPN1 P18031 2/20 0.54
▸ PPP1CC P36873 2/20 0.54
▸ MAPT P10636 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ FKBP1A P62942 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
SCHEMBL15712143 0.81 PPM1B (0.53) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL11607831 0.80 PPARG (0.45) PPM1BPTPN1PPP1CCTSHR
SCHEMBL19323222 0.78 PPM1B (0.61) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL15645794 0.78 PPM1B (0.61) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL255394 0.78 PPM1B (0.47) PPM1BPTPN1PPP1CCMAPTTSHR
SCHEMBL11609072 0.77 PPM1B (0.42) PPM1BPTPN1PPP1CCTSHRALDH1A1
SCHEMBL1196439 0.76 ALDH1A1 (0.45) PPM1BPTPN1PPP1CCMAPTTSHR
SCHEMBL31189120 0.75 PPM1B (0.45) PPM1BPTPN1PPP1CCMAPTTSHR
SCHEMBL31181970 0.75 PPM1B (0.45) PPM1BPTPN1PPP1CCMAPTTSHR
SCHEMBL14874553 0.74 PPM1B (0.55) PPM1BPTPN1PPP1CCMAPTALDH1A1

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
US-4076642-A Novel monoepoxy compounds as acid scavengers in functional fluids MONSANTO COMPANY (US) 1978-02-28 — — US disclosed
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