SCHEMBL9088784

SCHEMBL9088784

CC(C)(C)OC(=O)CCC(NC(=O)c1ccc(CN)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 8/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39

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
SCHEMBL9088792 1.00 P2RY12 (0.43) P2RY12L3MBTL1HDAC3HDAC6NCOR2
Hydrochloric Acid SCHEMBL9086144 0.99 P2RY12 (0.42) P2RY12L3MBTL1HDAC3HDAC6NCOR2
Hydrochloric Acid SCHEMBL9086135 0.99 P2RY12 (0.42) P2RY12L3MBTL1HDAC3HDAC6NCOR2
SCHEMBL9556410 0.88 P2RY12 (0.42) P2RY12L3MBTL1ADAMTS5
SCHEMBL9087240 0.88 P2RY12 (0.42) P2RY12L3MBTL1ADAMTS5
SCHEMBL9087244 0.88 P2RY12 (0.42) P2RY12L3MBTL1ADAMTS5
SCHEMBL12356372 0.85 ALDH1A1 (0.46) P2RY12L3MBTL1MMP2ADAMTS5
SCHEMBL2244069 0.85 ALDH1A1 (0.46) P2RY12L3MBTL1MMP2ADAMTS5
SCHEMBL2247466 0.85 ADAMTS5 (0.44) P2RY12MMP2MMP8MMP12ADAMTS5
SCHEMBL12356373 0.85 ADAMTS5 (0.44) P2RY12MMP2MMP8MMP12ADAMTS5

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
US-5506267-A IMMUNOADJUVANT FOR BONE MARROW CELL GROWTH AFTERTREATMENT OF CHEMOTHERAPY OR RADIOTHERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-09 US disclosed
EP-0641776-A2 Thioglycerol derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-08 EP disclosed