SCHEMBL28028945

SCHEMBL28028945

Cc1ccccc1C=C/C=C/C=C/CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
RAB9A P51151 6/20 0.39
KDM4E B2RXH2 4/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
CDK4 P11802 2/20 0.36
CCND1 P24385 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
THPO P40225 1/20 0.36
HIF1A Q16665 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4078766 0.84 ALDH1A1 (0.46) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A
SCHEMBL3165882 0.84 ALDH1A1 (0.46) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A
SCHEMBL1976903 0.82 ALDH1A1 (0.56) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A
SCHEMBL23457969 0.82 ALDH1A1 (0.56) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A
SCHEMBL23458039 0.82 ALDH1A1 (0.56) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A
SCHEMBL23457968 0.82 ALDH1A1 (0.56) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A
SCHEMBL23458040 0.82 ALDH1A1 (0.56) ALDH1A1TSHRRAB9AKDM4EAPOBEC3A
SCHEMBL27364016 0.79 RAB9A (0.40) ALDH1A1RAB9AKDM4EMEN1KMT2A
SCHEMBL8817905 0.75 ALDH1A1 (0.43) ALDH1A1TSHRCYP2D6
SCHEMBL8817912 0.75 ALDH1A1 (0.43) ALDH1A1TSHRCYP2D6

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
CN-105209539-A Hinge polymer NOVA CHEM INT SA 2015-12-30 CN disclosed