SCHEMBL7110000

SCHEMBL7110000

CC(C)(C)C(C(=O)O)C1CCNC(=O)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PARP3 Q9Y6F1 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.35
▸ PARP1 P09874 9/20 0.35
▸ PARP10 Q53GL7 4/20 0.35
▸ PARP11 Q9NR21 4/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TSHR P16473 1/20 0.31

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
SCHEMBL5026400 0.75 SLC6A3 (0.34) —
SCHEMBL5410564 0.69 PARP3 (0.43) PARP3HSD17B10PARP1PARP10PARP11
SCHEMBL29458586 0.65 PARP3 (0.49) PARP3HSD17B10PARP1PARP10PARP11
SCHEMBL8431321 0.65 HDAC8 (0.42) —
SCHEMBL19457862 0.63 F12 (0.37) ALDH1A1
SCHEMBL29458430 0.63 PARP3 (0.43) PARP3PARP1PARP10PARP11PDPK1
SCHEMBL12220005 0.63 PARP3 (0.53) PARP3HSD17B10PARP1PARP10PARP11
SCHEMBL6635520 0.63 PARP3 (0.53) PARP3HSD17B10PARP1PARP10PARP11
SCHEMBL8931375 0.62 PARP3 (0.49) PARP3HSD17B10PARP1PARP10PARP11
SCHEMBL29594704 0.62 PARP3 (0.56) PARP3HSD17B10PARP1PARP10PARP11

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
EP-1289962-A1 INTEGRIN LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2003-03-12 — — EP disclosed
WO-2001096312-A1 INTEGRIN LIGANDS BASF AKTIENGESELLSCHAFT (DE) 2001-12-20 — — WO disclosed
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