SCHEMBL7757953

SCHEMBL7757953

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/[C]=O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MAPT P10636 2/20 0.57
MEN1 O00255 2/20 0.57
CYP3A4 P08684 2/20 0.57
ALOX15 P16050 2/20 0.57
ALDH1A1 P00352 2/20 0.57
UGT1A1 P22309 1/20 0.57
SQLE Q14534 6/20 0.55
KDM4E B2RXH2 1/20 0.52
FNTA P49354 2/20 0.52
FNTB P49356 2/20 0.52
GGPS1 O95749 1/20 0.49

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
SCHEMBL530927 1.00 KMT2A (0.64) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL530928 1.00 KMT2A (0.64) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL954111 0.96 KMT2A (0.56) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL954112 0.96 KMT2A (0.56) KMT2AMAPTMEN1CYP3A4ALOX15
Squalene SCHEMBL27987791 0.87 KMT2A (0.85) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11436605 0.83 BTN3A1 (0.44) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11436601 0.83 BTN3A1 (0.44) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8702915 0.82 SQLE (0.43) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8702913 0.82 SQLE (0.43) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL23802597 0.79 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670317-B9 EPOXYCYCLOHEXENEDIONE DERIVATIVE KYOWA HAKKO KOGYO KK (JP) 2001-03-14 EP disclosed
EP-0670317-B1 EPOXYCYCLOHEXENEDIONE DERIVATIVE KYOWA HAKKO KOGYO KK (JP) 2000-03-08 EP disclosed
US-5565489-A MICROBIOCIDES, ANTITUMOR AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-10-15 US disclosed
EP-0670317-A1 EPOXYCYCLOHEXENEDIONE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-09-06 EP disclosed