SCHEMBL8630832

SCHEMBL8630832

COC(=O)C(CC[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 2/20 0.40
OPRD1 P41143 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.37
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
KDM1A O60341 1/20 0.37

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
SCHEMBL8630831 1.00 SMN1; SMN2 (0.42) SMN1; SMN2HSD17B10KMT2APOLBATM
SCHEMBL8634312 1.00 SMN1; SMN2 (0.42) SMN1; SMN2HSD17B10KMT2APOLBATM
SCHEMBL8634310 1.00 SMN1; SMN2 (0.42) SMN1; SMN2HSD17B10KMT2APOLBATM
SCHEMBL33525548 0.95 SMN1; SMN2 (0.41) SMN1; SMN2HSD17B10KMT2AATMOPRD1
SCHEMBL8632538 0.86 ATM (0.43) SMN1; SMN2HSD17B10KMT2APOLBATM
SCHEMBL8632541 0.86 ATM (0.43) SMN1; SMN2HSD17B10KMT2APOLBATM
SCHEMBL13078811 0.81 KMT2A (0.46) SMN1; SMN2HSD17B10KMT2APOLB
SCHEMBL9210070 0.81 ATM (0.44) SMN1; SMN2HSD17B10KMT2AATMMEN1
SCHEMBL5940343 0.80 ATM (0.43) SMN1; SMN2HSD17B10KMT2APOLBATM
SCHEMBL26796816 0.79 HSD17B10 (0.46) SMN1; SMN2HSD17B10KMT2AATMOPRD1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773465-A Tartronic acids, their acetalic ethers and o-esters DOMPE FARMACEUTICI S.P.A. (IT) 1998-06-30 US disclosed
EP-0667850-B1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE FARMACEUTICI SPA (IT) 1997-05-28 EP disclosed
US-5633260-A ANTITUMOR AGENTS BIONUMERIK PHARMACEUTICALS, INC. (US) 1997-05-27 US disclosed
US-5468754-A Anticarcinogenic agents BIONUMERIK PHARMACEUTICALS, INC. (US) 1995-11-21 US disclosed
EP-0667850-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS. DOMPE FARMACEUTICI SPA (IT) 1995-08-23 EP disclosed