SCHEMBL7590230

SCHEMBL7590230

CC(C)=CCC/C(C)=C/CN1CCC(=O)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ALOX15 P16050 3/20 0.40
MEN1 O00255 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
UGT1A1 P22309 1/20 0.39
ALOX5 P09917 2/20 0.38
MAOB P27338 2/20 0.38
SQLE Q14534 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL7590241 1.00 KMT2A (0.42) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL474145 0.87 KMT2A (0.43) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL118427 0.85 KMT2A (0.46) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL120741 0.85 KMT2A (0.42) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL120742 0.85 KMT2A (0.42) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL10706181 0.85 KMT2A (0.46) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL5857342 0.84 KMT2A (0.44) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL121994 0.84 KMT2A (0.41) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL5857338 0.84 KMT2A (0.44) KMT2AALOX15MEN1CYP3A4ALDH1A1
SCHEMBL121342 0.84 KMT2A (0.41) KMT2AALOX15MEN1CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813879-B1 Drug administration composition for iontophoresis HISAMITSU PHARMACEUTICAL CO (JP) 2002-10-30 EP claimed
CN-117396187-A Composition for administration in a body cavity comprising cannabidiol 融实医药(海南)有限公司 2024-01-12 CN disclosed
CN-117279623-A Wound treatment composition 融实医药(海南)有限公司 2023-12-22 CN disclosed
CN-109641030-B Methods and compositions for modulating opioid withdrawal symptoms 优特埃合伙有限公司 2023-05-16 CN disclosed
CN-113811306-A Topical formulations for the treatment of peripheral neuropathy 温桑托尔公司 2021-12-17 CN disclosed
EP-0813879-B1 Drug administration composition for iontophoresis HISAMITSU PHARMACEUTICAL CO (JP) 2002-10-30 EP disclosed
EP-0813879-A2 Drug administration composition for iontophoresis HISAMITSU PHARMACEUTICAL CO. INC. (JP) 1997-12-29 EP disclosed