SCHEMBL29199783

SCHEMBL29199783

COc1ccc([C@@H](CO)OC(=O)NC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
UTS2R Q9UKP6 2/20 0.44
GPR88 Q9GZN0 1/20 0.41
SLC2A1 P11166 1/20 0.41
TNF P01375 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP13 P45452 1/20 0.40
ADAM17 P78536 1/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL27571172 1.00 NPSR1 (0.46) NPSR1UTS2RGPR88SLC2A1TNF
SCHEMBL28821222 0.85 TSHR (0.42) UTS2RLMNAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL28995697 0.85 RAB9A (0.40) UTS2RTNFMMP1MMP2MMP3
SCHEMBL27674502 0.84 LMNA (0.39) MMP1MMP3LMNAALDH1A1SMN1; SMN2
SCHEMBL28404198 0.84 KMT2A (0.43) LMNAALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL27674503 0.84 LMNA (0.39) MMP1MMP3LMNAALDH1A1SMN1; SMN2
SCHEMBL28862367 0.84 MAPT (0.47) LMNARAB9ANPC1HTTMEN1
SCHEMBL23632129 0.80 RORC (0.39) LMNAHTTGAA
SCHEMBL28619569 0.80 RORC (0.39) LMNAHTTGAA
SCHEMBL27888280 0.80 CNR2 (0.49) UTS2RALDH1A1RAB9ANPC1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239948-A Solid forms and methods of making fused tricyclic compounds, including methods of use thereof 豪夫迈·罗氏有限公司 2024-06-25 CN disclosed
CN-117946107-A Solid forms and methods of making fused tricyclic compounds, including methods of use thereof 豪夫迈·罗氏有限公司 2024-04-30 CN disclosed