SCHEMBL8214432

SCHEMBL8214432

CC(=O)[C@@H](C)c1ccccc1NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
NLRP3 Q96P20 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
BRD9 Q9H8M2 1/20 0.41
ELANE P08246 2/20 0.40
CTRB1 P17538 1/20 0.40
METAP1 P53582 1/20 0.40
CXCL8 P10145 2/20 0.40
LPAR1 Q92633 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
SCHEMBL1951582 0.91 CXCL8 (0.49) IDO1NLRP3LMNAPOLBTP53
SCHEMBL8837511 0.91 CXCL8 (0.49) IDO1NLRP3LMNAPOLBTP53
SCHEMBL1951665 0.91 CXCL8 (0.49) IDO1NLRP3LMNAPOLBTP53
SCHEMBL2737224 0.86 NLRP3 (0.56) IDO1NLRP3LMNAPOLBTP53
SCHEMBL1771858 0.85 IDO1 (0.47) IDO1NLRP3LMNAPOLBTP53
SCHEMBL17230179 0.84 IDO1 (0.44) IDO1NLRP3LMNAPOLBTP53
SCHEMBL24166675 0.82 IDO1 (0.43) IDO1NLRP3LMNAPOLBTP53
SCHEMBL28360191 0.82 LMNA (0.48) IDO1NLRP3LMNAPOLBTP53
SCHEMBL7419310 0.81 IDO1 (0.45) IDO1NLRP3LMNAPOLBTP53
SCHEMBL2880191 0.81 LMNA (0.54) LMNAPOLBRXFP1BRD9METAP1

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-1054865-A1 FARNESYL TRANSFERASE INHIBITORS AstraZeneca UK Limited (GB) 2000-11-29 EP disclosed
WO-1999041235-A1 FARNESYL TRANSFERASE INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-08-19 WO disclosed