SCHEMBL13837372

SCHEMBL13837372

Cc1ccc(C(=O)c2cccc(Oc3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccccc5)cc4)cc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ SRD5A2 P31213 1/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ PTGES O14684 2/20 0.47
▸ ALOX5 P09917 2/20 0.47
▸ ACACB O00763 1/20 0.46
▸ ACACA Q13085 1/20 0.46
▸ HSD17B1 P14061 2/20 0.45
▸ HSD17B2 P37059 2/20 0.45
▸ CNR2 P34972 1/20 0.44
▸ TNKS O95271 1/20 0.44
▸ PARP15 Q460N3 1/20 0.44
▸ PARP14 Q460N5 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.44
▸ TNKS2 Q9H2K2 1/20 0.44
▸ PARP2 Q9UGN5 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL13837369 0.91 SRD5A2 (0.51) FFAR4POLBSRD5A2PTGESALOX5
SCHEMBL14225036 0.89 HSD17B2 (0.50) FFAR4SRD5A2PTGESALOX5ACACB
SCHEMBL12258368 0.87 HSD17B2 (0.51) FFAR4POLBSRD5A2PTGESALOX5
SCHEMBL12252096 0.86 ALOX5 (0.47) POLBSRD5A2ALOX5ACACBACACA
SCHEMBL14288321 0.86 AKR1C3 (0.62) POLBSRD5A2AKR1C3TNKSPARP15
SCHEMBL6463622 0.85 FFAR4 (0.61) FFAR4POLBSRD5A2AKR1C3ACACB
SCHEMBL19773619 0.85 SRD5A2 (0.56) POLBSRD5A2PTGESALOX5HSD17B1
SCHEMBL13628166 0.85 SRD5A2 (0.60) POLBSRD5A2PTGESALOX5ACACB
SCHEMBL18828187 0.85 SRD5A2 (0.56) POLBSRD5A2PTGESALOX5HSD17B1
SCHEMBL12012656 0.84 ALOX5 (0.50) SRD5A2ALOX5ACACBACACAHSD17B1

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
US-20120286653-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL ILLUMINATOR MITSUBISHI CHEMICAL CORPORATION (JP) 2012-11-15 — — US disclosed
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