SCHEMBL3894587

SCHEMBL3894587

O=C(OC(=O)C(O)CO)c1ccc([AsH2])cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.34
ADRB2 P07550 6/20 0.33
ADRB1 P08588 6/20 0.33
ADRB3 P13945 6/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ESR1 P03372 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ESR2 Q92731 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL8922492 0.91 ALDH1A1 (0.41) PRKCAALDH1A1POLBADRB2ADRB1
SCHEMBL6917169 0.83 MAPT (0.49) PRKCAALDH1A1POLBADRB2ADRB1
SCHEMBL62519 0.83 LMNA (0.51) PRKCAALDH1A1ADRB2ADRB1ADRB3
SCHEMBL3390 0.82 ALDH1A1 (0.55) PRKCAALDH1A1ADRB2ADRB1ADRB3
SCHEMBL4529776 0.79 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNACYP3A4
SCHEMBL3894591 0.76 ADRB2 (0.49) PRKCAALDH1A1ADRB2ADRB1ADRB3
Benzocaine SCHEMBL7263677 0.75 LMNA (0.69) ALDH1A1ADRB2ADRB1ADRB3ESR1
Ether SCHEMBL13280294 0.74 LMNA (0.46) PRKCAALDH1A1ADRB2ADRB1ADRB3
SCHEMBL4372826 0.73 ALDH1A1 (0.47) PRKCAALDH1A1CA2LMNACYP3A4
SCHEMBL93977 0.70 OR51E2 (0.50) ALDH1A1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635775-A4 STABLE COSMETIC EMULSION WITH POLYAMIDE COLOR ACCESS INC (US) 2009-04-29 EP disclosed
EP-1635775-A1 STABLE COSMETIC EMULSION WITH POLYAMIDE Color Access, Inc. (US) 2006-03-22 EP disclosed
WO-2005000252-A1 STABLE COSMETIC EMULSION WITH POLYAMIDE COLOR ACCESS, INC. (US) 2005-01-06 WO disclosed