SCHEMBL3530395

SCHEMBL3530395

C=CCOCCl.C=CCc1ccc(OCCl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
ALOX12 P18054 1/20 0.49
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA9 Q16790 3/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
MAPT P10636 4/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 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
SCHEMBL1702567 0.89 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL7782792 0.80 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL9283056 0.75 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL2097590 0.72 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL9711921 0.71 SLC5A1 (0.42) ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL3530396 0.71 ALDH1A1 (0.46) ALDH1A1TSHRMAPTKDM4ETDP1
SCHEMBL1652185 0.71 CA12 (0.50) ALDH1A1SMN1; SMN2TP53CA12CA1
SCHEMBL627031 0.71 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL461315 0.71
SCHEMBL9712052 0.70 SLC5A1 (0.41) ALDH1A1SMN1; SMN2CYP3A4CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157032-B1 TRANSPORT CASE FOR ELECTRONIC COMPONENT SAKASE CHEMICAL CO LTD (JP) 2012-07-25 EP disclosed
EP-2157032-A1 TRANSPORT CASE FOR ELECTRONIC COMPONENT Sakase Chemical Co., Ltd. (JP) 2010-02-24 EP disclosed