SCHEMBL29633582

SCHEMBL29633582

CCOc1cc(C(=O)OC)cc(OCC)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
CREBBP Q92793 2/20 0.50
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 3/20 0.47
TSHR P16473 3/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
MEN1 O00255 2/20 0.46
MAPK1 P28482 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
XDH P47989 1/20 0.46

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
SCHEMBL20763257 0.95 KMT2A (0.54) KDM4ECREBBPALDH1A1KMT2ATSHR
SCHEMBL25980683 0.89 USP2 (0.50) KDM4ECREBBPALDH1A1KMT2ATSHR
SCHEMBL25980852 0.89 LMNA (0.52) KDM4ECREBBPALDH1A1KMT2ATSHR
SCHEMBL29633615 0.87 KDM4E (0.44) KDM4ECREBBPALDH1A1KMT2ATSHR
SCHEMBL3635413 0.87 CA12 (0.58) ALDH1A1KMT2ATSHRCA12CA1
SCHEMBL29633564 0.86 KDM4E (0.43) KDM4ECREBBPALDH1A1KMT2ATSHR
SCHEMBL28030473 0.85 TSHR (0.66) ALDH1A1KMT2ATSHRMEN1LMNA
SCHEMBL6865895 0.84 CREBBP (0.49) KDM4ECREBBPALDH1A1KMT2ATSHR
SCHEMBL18018670 0.84 EGFR (0.48) KDM4EALDH1A1KMT2ATSHRCA12
SCHEMBL3576601 0.84 LMNA (0.57) KDM4ECREBBPALDH1A1KMT2ATSHR

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