SCHEMBL11029636

SCHEMBL11029636

Cc1cccc(C)c1OC(=O)c1ccc(O)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.57
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
CA7 P43166 4/20 0.57
CA9 Q16790 4/20 0.57
CA14 Q9ULX7 4/20 0.57
PDK2 Q15119 1/20 0.57
PDK4 Q16654 1/20 0.57
SERPINE1 P05121 1/20 0.51
CES2 O00748 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.45

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
SCHEMBL9304475 0.81 HSD17B10 (0.58) CA12CA1CA2CA7CA9
SCHEMBL9305549 0.78 THRA (0.49)
SCHEMBL10745505 0.77 KDM4E (0.55) MEN1KMT2ANPC1CASP3SENP8
SCHEMBL10785616 0.77 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL10608463 0.75 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL10722480 0.75 SERPINE1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL4201347 0.75 MAPT (0.71) CA12CA1CA2CA7CA9
SCHEMBL5710221 0.75 MEN1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL30374772 0.75 MEN1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL21500819 0.74 CA12 (0.53) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0057503-B1 PRODUCTION OF HYDROXY ARYLOPHENONES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-03-20 EP disclosed
US-4453010-A Production of hydroxy arylophenones IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-06-05 US disclosed
EP-0057503-A1 Production of hydroxy arylophenones IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-08-11 EP disclosed