SCHEMBL8748845

SCHEMBL8748845

COc1cccc2c1CCC(=O)C2=[N+]=[N-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
ACHE P22303 1/20 0.45
CYP19A1 P11511 2/20 0.44
SRD5A1 P18405 1/20 0.43
SRD5A2 P31213 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
S100A4 P26447 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NOTUM Q6P988 1/20 0.38
TOP1 P11387 1/20 0.38

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
SCHEMBL29506042 0.82 KDM4E (0.61) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL165220 0.82 KDM4E (0.61) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL14120635 0.72 ACHE (0.51) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL29802310 0.72 BRD4 (0.54) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL264705 0.72 BRD4 (0.54) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL2316269 0.69 MAPK14 (0.59) KDM4EALDH1A1HPGDGAAACHE
SCHEMBL6804044 0.68 ACHE (0.46) KDM4EALDH1A1HPGDACHECYP19A1
SCHEMBL8736314 0.68 ALDH1A1 (0.56) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL3696538 0.68 CES1 (0.52) SRD5A1
SCHEMBL16569613 0.68 CYP19A1 (0.56) KDM4EALDH1A1GAAACHECYP19A1

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
US-5627006-A ALKENYLOXY-SUBSTITUTED POLYVINYLPHENOLS, PHOTOSENSITIVE ACID GENERATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-06 US disclosed
EP-0552548-B1 Resist material WAKO PURE CHEM IND LTD (JP) 1997-03-19 EP disclosed
EP-0552548-A1 Resist material WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1993-07-28 EP disclosed