SCHEMBL9068215

SCHEMBL9068215

CCCCOC(=O)C1C(C(=O)OCCCC)[C@H]2O[C@H]2C1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ PPM1B O75688 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ PPP1CC P36873 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ PPARG P37231 3/20 0.35
▸ TSHR P16473 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PPP5C P53041 1/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NAAA Q02083 1/20 0.32
▸ ESR1 P03372 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL10350264 0.85 ALDH1A1 (0.47) ALDH1A1PPM1BPTPN1PPP1CCATM
SCHEMBL4390371 0.78 PPP5C (0.40) ALDH1A1PPM1BPTPN1PPP1CCATM
SCHEMBL30603264 0.78 PPP5C (0.40) ALDH1A1PPM1BPTPN1PPP1CCATM
SCHEMBL9032416 0.72 ALDH1A1 (0.47) ALDH1A1PPM1BPTPN1PPP1CCATM
SCHEMBL5197172 0.71 ALDH1A1 (0.42) ALDH1A1PPM1BPTPN1PPP1CCATM
SCHEMBL1664742 0.71 L3MBTL1 (0.56) ALDH1A1PPARGTSHRTDP1L3MBTL1
SCHEMBL27783538 0.69 PPM1B (0.71) ALDH1A1PPM1BPTPN1PPP1CCATM
SCHEMBL11609072 0.69 PPM1B (0.42) ALDH1A1PPM1BPTPN1PPP1CCATM
SCHEMBL11607831 0.68 PPARG (0.45) PPM1BPTPN1PPP1CCPPARGTSHR
SCHEMBL14874398 0.68 ALDH1A1 (0.50) ALDH1A1PPM1BPTPN1PPP1CCATM

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-5484874-A EXHIBITING GOOD MOLD RELEASE, THERMAL STABILITY AND LITTLE DISCOLORATION DURING MOLDING GE PLASTICS, JAPAN, LTD. (JP) 1996-01-16 — — US disclosed
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