SCHEMBL13837307

SCHEMBL13837307

COc1cccc(N(c2ccc(Oc3ccc(C(=O)c4ccc(O)cc4)cc3)cc2)c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B2 P37059 3/20 0.51
▸ HSD17B1 P14061 2/20 0.51
▸ AR P10275 1/20 0.46
▸ ALOX5 P09917 2/20 0.46
▸ PTGES O14684 1/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ PGR P06401 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ PDE4A P27815 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL12258368 0.91 HSD17B2 (0.51) HSD17B2HSD17B1ALOX5PTGESKMT2A
SCHEMBL13837285 0.91 KMT2A (0.53) ALOX5KMT2ALMNAMEN1MAPT
SCHEMBL14225036 0.90 HSD17B2 (0.50) HSD17B2HSD17B1ALOX5PTGESKMT2A
SCHEMBL13628166 0.84 SRD5A2 (0.60) ALOX5PTGESKMT2ALMNAMEN1
SCHEMBL12012653 0.82 HSD17B1 (0.56) HSD17B2HSD17B1KMT2ALMNAMEN1
SCHEMBL4402837 0.82 HPGD (0.56) HSD17B2HSD17B1ALOX5KMT2ALMNA
SCHEMBL2623414 0.81 ALOX5 (0.50) HSD17B2HSD17B1ALOX5KMT2ALMNA
SCHEMBL12012656 0.81 ALOX5 (0.50) HSD17B2HSD17B1ALOX5KMT2ALMNA
SCHEMBL12252096 0.81 ALOX5 (0.47) ALOX5KMT2ALMNAMEN1MAPT
SCHEMBL12256026 0.81 ALOX5 (0.50) HSD17B2HSD17B1ALOX5KMT2ALMNA

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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