SCHEMBL10991330

SCHEMBL10991330

Cc1cccc(Oc2ccc(C(=O)C(O)O)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 2/20 0.58
▸ HSD17B2 P37059 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.54
▸ TDP1 Q9NUW8 3/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ EZH2 Q15910 1/20 0.49
▸ GFER P55789 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ TNKS O95271 1/20 0.47
▸ PARP15 Q460N3 1/20 0.47
▸ PARP14 Q460N5 1/20 0.47
▸ PARP10 Q53GL7 1/20 0.47
▸ TNKS2 Q9H2K2 1/20 0.47
▸ PARP2 Q9UGN5 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ LTA4H P09960 1/20 0.46
▸ MGLL Q99685 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ AKR1C3 P42330 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
SCHEMBL27491000 0.85 HSD17B1 (0.56) HSD17B1HSD17B2ALDH1A1TDP1L3MBTL1
SCHEMBL14159536 0.83 HSD17B1 (0.64) HSD17B1HSD17B2ALDH1A1TDP1L3MBTL1
SCHEMBL10991848 0.83 MMP13 (0.58) HSD17B1HSD17B2ALDH1A1TDP1HTT
SCHEMBL15013520 0.82 HSD17B1 (0.62) HSD17B1HSD17B2ALDH1A1TDP1L3MBTL1
SCHEMBL13228859 0.82 MAPT (0.66) HSD17B1HSD17B2ALDH1A1TDP1L3MBTL1
SCHEMBL10993913 0.82 MMP13 (0.56) HSD17B1HSD17B2ALDH1A1TDP1HTT
SCHEMBL10990117 0.81 HSD17B1 (0.58) HSD17B1HSD17B2ALDH1A1TDP1L3MBTL1
SCHEMBL10996146 0.80 SRD5A2 (0.59) ALDH1A1PARP10LTA4HPOLBAKR1C3
SCHEMBL27480274 0.79 HSD17B1 (0.59) HSD17B1HSD17B2ALDH1A1TDP1L3MBTL1
SCHEMBL14159539 0.79 ALDH1A1 (0.80) HSD17B1HSD17B2ALDH1A1TDP1L3MBTL1

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-4536517-A ANTIDIABETIC, ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1985-08-20 — — US disclosed
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