SCHEMBL29633602

SCHEMBL29633602

COC(=O)c1cc(OC2CC2)c(C)c(OC2CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
EPHX2 P34913 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
XDH P47989 1/20 0.43
GFER P55789 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL300017 0.85 KMT2A (0.44) HSD17B10EPHX2CA12CA1CA2
SCHEMBL23904754 0.83 EPHX2 (0.41) HSD17B10EPHX2CA12CA1CA2
SCHEMBL9944140 0.82 PDE4D (0.47) PDE5APDE4BPDE4APDE4CPDE4D
SCHEMBL22945940 0.82 LMNA (0.44) LMNAPOLBALDH1A1USP2PDE4B
SCHEMBL29633531 0.82 KMT2A (0.51) EPHX2CA12CA1CA2CA7
SCHEMBL30117191 0.82 NOTUM (0.54) EPHX2CA12CA1CA2CA7
SCHEMBL23704079 0.82 NOTUM (0.54) EPHX2CA12CA1CA2CA7
SCHEMBL18031253 0.81 MAPT (0.53) PDE5APDE4BPDE4APDE4CPDE4D
SCHEMBL18031257 0.80 LMNA (0.45) HSD17B10EPHX2CA12CA1CA2
SCHEMBL16544967 0.79 MAPT (0.62) PDE5APDE4BPDE4APDE4CPDE4D

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