SCHEMBL29633518

SCHEMBL29633518

CCOc1cc(CO)c(Cl)c(OCC)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
LMNA P02545 3/20 0.38
THRB P10828 1/20 0.37
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 4/20 0.33
CYP2D6 P10635 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
HPGD P15428 1/20 0.33
SLC2A1 P11166 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL28715365 0.82 ALDH1A1 (0.38) HTTLMNATHRBALDH1A1SMN1; SMN2
SCHEMBL24488936 0.73 HTT (0.37) HTTLMNATHRBALDH1A1SMN1; SMN2
SCHEMBL22946263 0.73 LMNA (0.57) HTTLMNATHRBALDH1A1SMN1; SMN2
SCHEMBL29633557 0.73 TSHR (0.44) HTTLMNATHRBALDH1A1TSHR
Hydrochloric Acid SCHEMBL28715398 0.72 POLB (0.36) HTTLMNAALDH1A1SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL28715397 0.72 POLB (0.36) HTTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL22946248 0.71 HTR2A (0.36) HTTLMNATHRBALDH1A1SMN1; SMN2
SCHEMBL358283 0.70 LMNA (0.45) HTTLMNATHRBALDH1A1SMN1; SMN2
SCHEMBL14094901 0.68 MAPT (0.39) HTTLMNAALDH1A1TSHRCYP1A2
SCHEMBL670340 0.68 TSHR (0.41) HTTLMNATHRBALDH1A1SMN1; SMN2

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