SCHEMBL29633608

SCHEMBL29633608

CCOC(=O)C1CC(OCC)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 6/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPM1B O75688 1/20 0.37
PTPN1 P18031 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
SCHEMBL17802981 0.88 MAPT (0.45) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL1298246 0.84 MAPT (0.50) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL6736374 0.84 MAPT (0.50) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL23440383 0.83 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL2345801 0.83 MAPT (0.51) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL2341343 0.83 MAPT (0.51) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL2341968 0.83 MAPT (0.51) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL2341347 0.83 MAPT (0.51) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL30730195 0.83 CHRNB2 (0.47) ALDH1A1
SCHEMBL25228915 0.83 KMT2A (0.44) MEN1KMT2AMAPTALDH1A1CYP3A4

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-119823001-A Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2025-04-15 CN disclosed
CN-114206832-B Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2025-04-04 CN disclosed
CN-114206832-A Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2022-03-18 CN disclosed