SCHEMBL10497665

SCHEMBL10497665

CCCCCCCCCCCCCCCCCCCCCCOc1ccc(/C=C/C(=O)c2ccc(SCCCC)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.68
▸ BCHE P06276 13/20 0.61
▸ ACHE P22303 11/20 0.61
▸ KDM4E B2RXH2 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ CYP1A1 P04798 1/20 0.57
▸ CYP1B1 Q16678 1/20 0.57
▸ MAOB P27338 1/20 0.54

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
SCHEMBL10497687 1.00 ABCG2 (0.68) ABCG2BCHEACHEKDM4ELMNA
SCHEMBL10498411 1.00 ABCG2 (0.68) ABCG2BCHEACHEKDM4ELMNA
SCHEMBL10497593 1.00 ABCG2 (0.68) ABCG2BCHEACHEKDM4ELMNA
SCHEMBL10497150 1.00 ABCG2 (0.68) ABCG2BCHEACHEKDM4ELMNA
SCHEMBL10497738 1.00 ABCG2 (0.68) ABCG2BCHEACHEKDM4ELMNA
SCHEMBL10497621 1.00 ABCG2 (0.68) ABCG2BCHEACHEKDM4ELMNA
SCHEMBL10497732 1.00 ABCG2 (0.68) ABCG2BCHEACHEKDM4ELMNA
SCHEMBL10498405 1.00 ABCG2 (0.68) ABCG2BCHEACHEKDM4ELMNA
SCHEMBL10497642 0.98 ABCG2 (0.68) ABCG2BCHEACHEKDM4ELMNA
SCHEMBL10498819 0.98 ABCG2 (0.68) ABCG2BCHEACHEKDM4ELMNA

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
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
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