SCHEMBL9003347

SCHEMBL9003347

COc1ccc(OCCOc2ccc(Cc3ccc(O)c(C(=O)O)c3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.62
CTSB P07858 1/20 0.62
MMP9 P14780 1/20 0.62
DNMT1 P26358 1/20 0.62
DNMT3B Q9UBC3 1/20 0.62
DNMT3L Q9UJW3 1/20 0.62
DNMT3A Q9Y6K1 1/20 0.62
HNF4A P41235 1/20 0.60
MCL1 Q07820 2/20 0.47
ACMSD Q8TDX5 1/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LCK P06239 1/20 0.47
KDM5A P29375 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
LTA4H P09960 2/20 0.45
KAT8 Q9H7Z6 2/20 0.45
USP2 O75604 1/20 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
SCHEMBL9003398 0.89 LCK (0.57) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL9003403 0.89 HNF4A (0.72) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL9305720 0.87 NPC1 (0.52) MCL1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL9003300 0.86 KLKB1 (0.49) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL8943610 0.86 NPC1 (0.51) MCL1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL10422078 0.85 RAB9A (0.61) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL9304751 0.84 KAT8 (0.63) KLKB1CTSBMMP9DNMT1DNMT3B
SCHEMBL9304812 0.83 MCL1 (0.54) MCL1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL9305419 0.83 MCL1 (0.54) MCL1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL1108685 0.81 ALDH1A1 (0.54) KLKB1CTSBMMP9DNMT1DNMT3B

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-0424914-B1 Recording material NEW OJI PAPER CO LTD (JP) 1996-09-25 EP disclosed
US-5276001-A Color developer comprising salicylic acid derivative KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1994-01-04 US disclosed
US-5096872-A Colorless basic dye reacts with salicylic acid derivative to form colored image, paper KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1992-03-17 US disclosed