SCHEMBL8601528

SCHEMBL8601528

CCC(C)=CCC/C(C)=C\C=O

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
UGT1A1 P22309 1/20 0.39
SQLE Q14534 2/20 0.38
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
PGR P06401 1/20 0.37
ATM Q13315 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL27851672 1.00 ALDH1A1 (0.69) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL8601730 1.00 ALDH1A1 (0.69) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL3913257 1.00 ALDH1A1 (0.69) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL8603347 1.00 ALDH1A1 (0.69) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL2563046 1.00 ALDH1A1 (0.69) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL27805457 0.85 ALDH1A1 (0.67) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL8602195 0.85 ALDH1A1 (0.67) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL8602197 0.85 ALDH1A1 (0.67) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL30011611 0.85 ALDH1A1 (0.67) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL8603792 0.83 ALDH1A1 (0.48) ALDH1A1KMT2AKDM4EMAPTMEN1

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
US-5710290-A Functionalized cycloaliphatic nitrile oxides THE DOW CHEMICAL COMPANY (US) 1998-01-20 US disclosed