SCHEMBL8112949

SCHEMBL8112949

COC(=O)c1[nH]c2cccc(O)c2c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 7/20 0.49
GAA P10253 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HTT P42858 1/20 0.49
PADI4 Q9UM07 1/20 0.49
HSD17B10 Q99714 4/20 0.47
MEN1 O00255 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 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
SCHEMBL27374214 0.81 KDM4E (0.43) CA12CA1CA2CA7CA9
SCHEMBL29350550 0.80 IMPDH2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL48966 0.80 IMPDH2 (0.47) CA12CA1CA2CA7CA9
Water SCHEMBL28121843 0.78 IMPDH2 (0.46) CA12CA1CA2CA7CA9
SCHEMBL28718284 0.78 IMPDH2 (0.46) CA1CA2KDM4EALDH1A1GAA
SCHEMBL4207606 0.77 KDM4E (0.69) KDM4EALDH1A1GAANPSR1HTT
SCHEMBL30572914 0.77 KDM4E (0.69) KDM4EALDH1A1GAANPSR1HTT
SCHEMBL7453384 0.75 HSP90AA1 (0.44) KDM4EALDH1A1GAANPSR1HTT
SCHEMBL6622666 0.73 LMNA (0.50) CA12CA1CA2CA7CA9
SCHEMBL19331202 0.72 NR4A2 (0.55) KDM4EALDH1A1GAAHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658339-B1 Process and kit for dyeing hair BRISTOL MYERS SQUIBB CO (US) 2000-06-07 EP disclosed
EP-0658093-B1 PROCESS AND KIT FOR DYEING HAIR BRISTOL MYERS SQUIBB CO (US) 2000-06-07 EP disclosed
US-5628799-A DYE IS A NITROBENZENE SUBSTITUTED WITH AT LEAST ONE NUCLEOPHILIC AMINO GROUP; BUFFER PRESENT; DOPA SPECIES, DYE AND OXIDANT REACT TO FORM MELANIN PRECURSOR WHICH DIFFUSES INTO HAIR TO FORM MELANIN CLAIROL INCORPORATED (US) 1997-05-13 US disclosed
US-5441542-A Ferricyanide oxidation of dopa to melamin CLAIROL INCORPORATED (US) 1995-08-15 US disclosed
EP-0658339-A1 Process and kit for dyeing hair Bristol-Myers Squibb Company (US) 1995-06-21 EP disclosed
EP-0658093-A1 PROCESS AND KIT FOR DYEING HAIR Bristol-Myers Squibb Company (US) 1995-06-21 EP disclosed
EP-0658093-A4 PROCESS AND KIT FOR DYEING HAIR. BRISTOL MYERS SQUIBB CO (US) 1994-09-23 EP disclosed
US-5279617-A Using melanin precursor; oxidizing dopa compound with a ferricyanide salt CLAIROL INCORPORATED (US) 1994-01-18 US disclosed
WO-1993005759-A1 PROCESS AND KIT FOR DYEING HAIR BRISTOL-MYERS SQUIBB COMPANY (US) 1993-04-01 WO disclosed