SCHEMBL25009795

SCHEMBL25009795

CC(C)Oc1ccc(N)c(OC(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.37
CDK2 P24941 3/20 0.37
CCNA1 P78396 3/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
F10 P00742 2/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
TLR8 Q9NR97 2/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL25000973 0.89 PDE10A (0.40) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL30271399 0.80 PIK3CD (0.33) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL17372584 0.80 ALDH1A1 (0.37) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL20223512 0.80 ALDH1A1 (0.37) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL29983687 0.80 CCNA2 (0.37) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL23458439 0.80 CCNA2 (0.37) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL16931085 0.78 MCHR1 (0.38) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL29990367 0.78 CCNA2 (0.36) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL25009828 0.76 ALDH1A1 (0.37) CCNA2CDK2CCNA1CDK1CCNB1
SCHEMBL7823093 0.76 ALDH1A1 (0.34) ALDH1A1PIK3CDPIK3CAPIK3CBPI4KA

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-118043041-A LPAR1 antagonists and uses thereof 康蒂内乌姆医疗公司 2024-05-14 CN disclosed
WO-2023014908-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed