SCHEMBL8536487

SCHEMBL8536487

O=C1CC[C@@H](C(=O)c2ccccc2)N1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
DDB1 Q16531 3/20 0.45
CRBN Q96SW2 3/20 0.45
CNR2 P34972 1/20 0.42
MAPT P10636 2/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
HBB P68871 1/20 0.42
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CPB1 P15086 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
SCHEMBL8533046 1.00 MCL1 (0.49) MCL1SMN1; SMN2MEN1KMT2ADDB1
SCHEMBL8533043 1.00 MCL1 (0.49) MCL1SMN1; SMN2MEN1KMT2ADDB1
SCHEMBL11037176 0.91 SMN1; SMN2 (0.44) MCL1SMN1; SMN2MEN1KMT2ADDB1
SCHEMBL597525 0.90 SMN1; SMN2 (0.44) MCL1SMN1; SMN2MEN1KMT2ACNR2
SCHEMBL597524 0.90 SMN1; SMN2 (0.44) MCL1SMN1; SMN2MEN1KMT2ACNR2
SCHEMBL598825 0.90 SMN1; SMN2 (0.44) MCL1SMN1; SMN2MEN1KMT2ACNR2
SCHEMBL38246 0.90 MCL1 (0.50) MCL1SMN1; SMN2MEN1KMT2ADDB1
SCHEMBL8014971 0.88 MCL1 (0.57) MCL1SMN1; SMN2MEN1KMT2ADDB1
SCHEMBL38409 0.88 MCL1 (0.57) MCL1SMN1; SMN2MEN1KMT2ADDB1
SCHEMBL8645790 0.87 MCL1 (0.55) MCL1SMN1; SMN2MEN1KMT2ADDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746426-B2 Stabilization of a co-bound intermediate via molecular tuning promotes CO2-to-ethylene conversion CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-09-05 US disclosed
CN-1216522-A Therapeutic agent for diabetes JAPAN TOBACCO INC (JP) 1999-05-12 CN disclosed
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed