SCHEMBL7657631

SCHEMBL7657631

COc1ccc(C(=O)C=CC2=COC(Cc3ccccc3)O2)c(O)c1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 4/20 0.43
CYP1B1 Q16678 3/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
KCNA3 P22001 2/20 0.42
MCL1 Q07820 2/20 0.42
NR1H4 Q96RI1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.38
APP P05067 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL7652008 0.88 NR1H4 (0.47) CYP1A1CYP1B1CYP1A2MAPTKCNA3
SCHEMBL7652711 0.81 ABCG2 (0.60) MAPTABCG2MEN1KMT2ANPC1
SCHEMBL7656619 0.80 AURKA (0.48) MAPTKCNA3NR1H4ABCG2MEN1
SCHEMBL7662659 0.79 MAPT (0.50) MAPTTDP1NR1H4ABCG2MEN1
SCHEMBL633997 0.77 CYP1A1 (0.64) CYP1A1CYP1B1CYP1A2MAPTTDP1
SCHEMBL633996 0.77 CYP1A1 (0.64) CYP1A1CYP1B1CYP1A2MAPTTDP1
SCHEMBL7664550 0.76 MAPT (0.43) MAPTKMT2ANPC1RAB9AMAOB
SCHEMBL7654658 0.76 APP (0.39) MAPTTDP1ABCG2MEN1KMT2A
SCHEMBL7664988 0.76 AR (0.52) MAPTTDP1TUBB1MEN1KMT2A
SCHEMBL7654846 0.76 KDM4E (0.50) MAPTTDP1ABCG2MEN1KMT2A

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-6500846-B1 2-(4-CHLOROPHENYL)-7-METHOXYCHROMEN-4-ONE, AS CYCLIN-DEPENDENT KINASE INHIBITORS, USED AS ANTICARCINOGENIC AGENTS OR FOR PROPHYLAXIS OF NEURODEGENERATIVE DISEASE LG CHEMICAL, LTD. (KR) 2002-12-31 US disclosed
EP-1109800-A1 NOVEL CDK INHIBITORS HAVING FLAVONE STRUCTURE LG CHEMICAL LIMITED (KR) 2001-06-27 EP disclosed
WO-2000012496-A1 NOVEL CDK INHIBITORS HAVING FLAVONE STRUCTURE LG CHEMICAL LTD. (KR) 2000-03-09 WO disclosed