SCHEMBL20630802

SCHEMBL20630802

CC(C)Oc1ccc(Oc2ccc(C(=O)C(C)C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
PARP10 Q53GL7 1/20 0.59
ACACB O00763 4/20 0.49
ACACA Q13085 3/20 0.49
HPGD P15428 4/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.47
PNLIP P16233 1/20 0.47
GLA P06280 1/20 0.46
MCL1 Q07820 2/20 0.46
BCL2 P10415 1/20 0.46
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A3 P47895 1/20 0.44

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
SCHEMBL10121188 0.94 KMT2A (0.68) KMT2APARP10HPGDMAPTRAB9A
SCHEMBL1445917 0.90 HPGD (0.58) KMT2APARP10HPGDMAPTRAB9A
SCHEMBL28799882 0.85 KMT2A (0.66) KMT2APARP10HPGDMAPTRAB9A
SCHEMBL20689737 0.84 KMT2A (0.49) KMT2APARP10MAPTRAB9APNLIP
SCHEMBL22548771 0.83 PARP10 (0.61) KMT2APARP10HPGDMAPTRAB9A
SCHEMBL2625197 0.83 BCL2 (0.61) PARP10HPGDMAPTRAB9APOLB
SCHEMBL13687470 0.83 PARP10 (0.58) KMT2APARP10HPGDMAPTRAB9A
SCHEMBL13203385 0.83 HPGD (0.73) KMT2APARP10HPGDMAPTRAB9A
SCHEMBL10869658 0.81 HPGD (0.50) KMT2APARP10HPGDMAPTRAB9A
SCHEMBL10398826 0.81 KMT2A (0.61) KMT2APARP10ACACBACACAHPGD

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
WO-2019008537-A9 MEDICAL COMPOUNDS VERA SALUS RICERCA S.R.L. (IT) 2020-02-20 WO disclosed
WO-2019008537-A1 MEDICAL COMPOUNDS VERA SALUS RICERCA S.R.L. (IT) 2019-01-10 WO disclosed