SCHEMBL2332350

SCHEMBL2332350

C=CCC(OC(=O)C=C)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
EGFR P00533 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
JAK1 P23458 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 1/20 0.41
AOC3 Q16853 1/20 0.40
CYP2C19 P33261 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
SCHEMBL2332343 1.00 MEN1 (0.43) MEN1KMT2AKDM4EALDH1A1EGFR
SCHEMBL2333803 1.00 MEN1 (0.43) MEN1KMT2AKDM4EALDH1A1EGFR
SCHEMBL5270062 0.87 MEN1 (0.43) MEN1KMT2AKDM4EALDH1A1EGFR
SCHEMBL11353033 0.83 L3MBTL1 (0.43) MEN1KMT2AKDM4EALDH1A1EGFR
SCHEMBL8040143 0.82 THRB (0.44) MEN1KMT2AKDM4EALDH1A1EGFR
SCHEMBL28948579 0.82 CYP2C19 (0.54) KDM4EALDH1A1CYP3A4MAPTALOX15
SCHEMBL2327636 0.80 KMT2A (0.44) MEN1KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL2327633 0.80 KMT2A (0.44) MEN1KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL5267799 0.79 UGT2B7 (0.49) MEN1KMT2AKDM4EALDH1A1EGFR
SCHEMBL20211629 0.79 CYP3A4 (0.45) MEN1KMT2AKDM4EALDH1A1EGFR

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
WO-2011099947-A1 A NEW CLASS OF HIGHLY APOPTOTIC ANTI-CANCER AGENTS CAGIR ALI (TR) 2011-08-18 WO disclosed