SCHEMBL9816775

SCHEMBL9816775

COc1c(C)cccc1C(=O)c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KCNK3 O14649 1/20 0.45
POLB P06746 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
PKM P14618 1/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42

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
SCHEMBL9726590 0.94 KDM4E (0.52) KMT2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL7947086 0.90 KMT2A (0.51) KMT2AKDM4EALDH1A1HPGDNPC1
SCHEMBL15100552 0.86 NPC1 (0.46) KMT2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1558506 0.85 KDM4E (0.53) KMT2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL29387256 0.83 CYP3A4 (0.55) KMT2AALDH1A1HPGDCYP3A4CYP2C9
SCHEMBL333141 0.83 CYP3A4 (0.55) KMT2AALDH1A1HPGDCYP3A4CYP2C9
SCHEMBL10669335 0.81 CYP3A4 (0.59) KMT2AALDH1A1HPGDCYP3A4CYP2C9
SCHEMBL9177911 0.81 KCNK3 (0.56) KMT2AHSD17B10NPC1RAB9AKCNK3
SCHEMBL18739643 0.80 HSD17B10 (0.55) KMT2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL305252 0.80 ALDH1A1 (0.70) KMT2AKDM4EALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0135714-B1 SUSTAINED RELEASE COMPOSITIONS FOR BIOLOGICALLY ACTIVE MATERIALS MELAMINE CHEMICALS, INC. (US) 1991-11-06 EP disclosed