SCHEMBL29633557

SCHEMBL29633557

CCOC(=O)c1cc(OCC)c(Br)c(OCC)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
GPR35 Q9HC97 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
THRB P10828 1/20 0.40
MAOB P27338 1/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38

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
SCHEMBL29633542 0.85 TSHR (0.46) TSHRHSD17B10CYP4F2CYP4A11CYP3A4
SCHEMBL29633597 0.85 ALDH1A1 (0.43) TSHRHSD17B10CYP4F2CYP4A11BAZ2B
SCHEMBL22946235 0.85 ALDH1A1 (0.43) TSHRHSD17B10CYP4F2CYP4A11BAZ2B
SCHEMBL22533321 0.83 TSHR (0.44) TSHRHSD17B10CYP3A4KDM4EALDH1A1
SCHEMBL29633528 0.83 TSHR (0.44) TSHRHSD17B10CYP3A4KDM4EALDH1A1
SCHEMBL11948619 0.79 GPR35 (0.49) TSHRHSD17B10CYP4F2CYP4A11BAZ2B
SCHEMBL31171418 0.76 TSHR (0.60) TSHRHSD17B10CYP3A4KDM4EALDH1A1
SCHEMBL31171420 0.76 TSHR (0.60) TSHRHSD17B10CYP3A4KDM4EALDH1A1
SCHEMBL28060602 0.75 KDM4E (0.49) TSHRHSD17B10CYP4F2CYP4A11BAZ2B
SCHEMBL3997791 0.74 TSHR (0.58) TSHRHSD17B10CYP3A4KDM4EALDH1A1

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