SCHEMBL28969723

SCHEMBL28969723

C=C(C)CCOC1=CC(=O)C(C)(C(=O)OCC)CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL31544797 0.70 TLR4 (0.39) MEN1KMT2A
SCHEMBL28969720 0.67 MAPT (0.38) MEN1KMT2AATM
SCHEMBL26013455 0.65 ATM (0.40) CYP2C19CYP3A4MEN1KMT2AATM
SCHEMBL28969730 0.64 EPHX1 (0.33)
SCHEMBL12919612 0.63 ATM (0.46) MEN1KMT2AATM
SCHEMBL21663022 0.62 POLB (0.37) MEN1KMT2A
SCHEMBL4812312 0.61 CYP2C19 (0.43) CYP2C19CYP3A4MEN1CYP2D6KMT2A
SCHEMBL16391277 0.60 CYP2C19 (0.40) CYP2C19CYP3A4MEN1CYP2D6KMT2A
SCHEMBL30050431 0.60 POLB (0.39) MEN1KMT2AATM
SCHEMBL875700 0.60 CYP2C19 (0.40) CYP2C19CYP3A4MEN1CYP2D6KMT2A

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
CN-115836061-B Odorants and compositions comprising odorants 丝趣科尔卡有限公司 2025-04-25 CN disclosed
EP-4188914-A1 ODORANTS AND COMPOSITIONS COMPRISING ODORANTS S H Kelkar and Company Limited (IN) 2023-06-07 EP disclosed
CN-115836061-A Odorants and compositions comprising odorants 丝趣科尔卡有限公司 2023-03-21 CN disclosed