SCHEMBL27636161

SCHEMBL27636161

CCCCOC(CCOC(C)=O)COC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.57
▸ PRKCA P17252 3/20 0.40
▸ TSHR P16473 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ LPAR1 Q92633 2/20 0.36
▸ LPAR3 Q9UBY5 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TLR2 O60603 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ DNM1 Q05193 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
SCHEMBL13224996 0.89 ALDH1A1 (0.59) ALDH1A1PRKCATSHRLMNALPAR1
SCHEMBL6523890 0.86 ALDH1A1 (0.55) ALDH1A1PRKCATSHRLMNALPAR1
SCHEMBL14241062 0.84 ALDH1A1 (0.53) ALDH1A1PRKCA
SCHEMBL29205683 0.81 ALDH1A1 (0.50) ALDH1A1TSHRLPAR1LPAR3TLR2
SCHEMBL4904539 0.79 LPAR1 (0.58) ALDH1A1LPAR1LPAR3TLR2
SCHEMBL2197348 0.79 LPAR1 (0.58) ALDH1A1LPAR1LPAR3TLR2
SCHEMBL9615812 0.79 ALDH1A1 (0.45) ALDH1A1PRKCATSHRLMNAATM
SCHEMBL2691429 0.79 ALDH1A1 (0.61) ALDH1A1TSHRLMNAALOX15ATM
SCHEMBL6002353 0.79 ALDH1A1 (0.48) ALDH1A1PRKCATSHRLMNAALOX15
SCHEMBL28332117 0.78 ALDH1A1 (0.59) ALDH1A1PRKCATSHRLMNAATM

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-1806038-A Blooming soap bars PROCTER & GAMBLE (US) 2006-07-19 — — CN disclosed
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