SCHEMBL5073453

SCHEMBL5073453

CCCCc1ccc(C(C)(C)C=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ THRA P10827 2/20 0.46
▸ THRB P10828 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CA1 P00915 1/20 0.44
▸ RARB P10826 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.41
▸ ESR1 P03372 2/20 0.41
▸ ADRA2A P08913 2/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ TACR2 P21452 2/20 0.41
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ SLC6A3 Q01959 2/20 0.41

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
SCHEMBL18241903 0.80 CA2 (0.52) PLK1ALDH1A1HPGDHSD17B10THRA
SCHEMBL20956952 0.79 CA2 (0.50) PLK1ALDH1A1HPGDHSD17B10THRA
SCHEMBL547838 0.79 KCNH2 (0.60) PLK1ALDH1A1HPGDHSD17B10CA2
SCHEMBL3918201 0.79 ALDH1A1 (0.50) PLK1ALDH1A1HPGDHSD17B10THRA
Formic Acid SCHEMBL28060935 0.77 ALDH1A1 (0.61) PLK1ALDH1A1HPGDHSD17B10THRA
SCHEMBL18911119 0.76 CA2 (0.52) PLK1ALDH1A1HPGDHSD17B10THRA
SCHEMBL21322216 0.76 CA2 (0.47) PLK1ALDH1A1HPGDHSD17B10THRA
SCHEMBL18594451 0.76 CA2 (0.47) PLK1ALDH1A1HPGDHSD17B10THRA
SCHEMBL83869 0.76 CA2 (0.65) PLK1ALDH1A1HPGDHSD17B10THRA
SCHEMBL5144035 0.76 TSHR (0.47) PLK1ALDH1A1HPGDCA2SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101107301-B Composition and method for cleaning surfaces BASF AG 2010-12-29 — — CN disclosed
EP-1844093-B1 MIXTURES AND METHOD FOR CLEANING SURFACES BASF SE (DE) 2008-09-03 — — EP disclosed
CN-101107301-A Composition and method for cleaning surfaces BASF AG (DE) 2008-01-16 — — CN disclosed
EP-1844093-A1 MIXTURES AND METHOD FOR CLEANING SURFACES BASF AKTIENGESELLSCHAFT (DE) 2007-10-17 — — EP disclosed
WO-2006077253-A1 MIXTURES AND METHOD FOR CLEANING SURFACES BASF AKTIENGESELLSCHAFT (DE) 2006-07-27 — — WO disclosed
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