SCHEMBL9857359

SCHEMBL9857359

CCOP(=O)(OCC)C(CCCCC(=O)O)NC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PRSS1 P07477 4/20 0.44
CTSG P08311 4/20 0.44
CTRB1 P17538 4/20 0.44
CMA1 P23946 4/20 0.44
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.41
P2RY12 Q9H244 1/20 0.41
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 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
SCHEMBL14377773 0.79 SMN1; SMN2 (0.60) SMN1; SMN2CTRB1POLBGAARAB9A
SCHEMBL5856865 0.73 LMNA (0.53) TDP1LMNAHSD17B10ALDH1A1RAB9A
SCHEMBL7370159 0.73 SMN1; SMN2 (0.63) SMN1; SMN2TDP1PRSS1CTSGCTRB1
SCHEMBL8827819 0.73 SMN1; SMN2 (0.63) SMN1; SMN2PRSS1CTSGCTRB1CMA1
SCHEMBL5857603 0.73 CA2 (0.55) TDP1LMNAHSD17B10
SCHEMBL8597091 0.72 NAAA (0.57) SMN1; SMN2LMNAPRSS1CTSGCTRB1
SCHEMBL1846885 0.72 FFAR4 (0.44) TDP1LMNAHSD17B10ALDH1A1
SCHEMBL9830868 0.72 CA2 (0.53) TDP1LMNAHSD17B10
SCHEMBL22223355 0.71 FFAR4 (0.45) TDP1LMNAHSD17B10ALDH1A1
SCHEMBL11012507 0.71 PRSS1 (0.52) TDP1LMNAHSD17B10PRSS1CTSG

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-0253179-B1 A-ACYLAMINO AMINOALKYL PHOPHONATE ANGIOTENSIN CONVERTING ENZYME INHIBITORS E.R. Squibb & Sons, Inc. (US) 1991-12-04 EP disclosed
EP-0253179-A2 A-acylamino aminoalkyl phophonate angiotensin converting enzyme inhibitors E.R. Squibb & Sons, Inc. (US) 1988-01-20 EP disclosed