SCHEMBL29633638

SCHEMBL29633638

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
POLB P06746 3/20 0.53
HTT P42858 2/20 0.53
ALOX15 P16050 1/20 0.53
CASP6 P55212 1/20 0.50
HSD17B10 Q99714 1/20 0.49
LMNA P02545 3/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
PKM P14618 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47

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
SCHEMBL20762948 0.93 TSHR (0.66) TSHRPOLBHTTALOX15CASP6
SCHEMBL9048230 0.84 CA12 (0.62) TSHRPOLBHTTALOX15CASP6
SCHEMBL1515929 0.84 TSHR (0.59) TSHRPOLBHTTALOX15CASP6
SCHEMBL504156 0.84 TSHR (0.70) TSHRPOLBHTTALOX15LMNA
SCHEMBL22946087 0.84 CREBBP (0.54) TSHRHTTHSD17B10LMNAMEN1
SCHEMBL22945604 0.84 TSHR (0.51) TSHRPOLBHTTALOX15CASP6
SCHEMBL29633627 0.84 TSHR (0.51) TSHRPOLBHTTALOX15CASP6
SCHEMBL12604610 0.83 PLA2G2A (0.56) TSHR
SCHEMBL731485 0.82 TSHR (0.57) TSHRPOLBHTTALOX15CASP6
SCHEMBL3635413 0.82 CA12 (0.58) TSHRLMNACA12CA1CA2

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