SCHEMBL28028503

SCHEMBL28028503

C=Cc1ccc(-c2ccccc2)cc1C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACMSD Q8TDX5 3/20 0.46
HNF4A P41235 2/20 0.46
DHFR P00374 1/20 0.46
MCL1 Q07820 1/20 0.46
HSD11B1 P28845 1/20 0.46
BRD4 O60885 1/20 0.44
IKBKB O14920 1/20 0.44
GSTA1 P08263 1/20 0.42
PTGS2 P35354 1/20 0.42
HDAC1 Q13547 2/20 0.41
KDM4E B2RXH2 1/20 0.41
APOBEC3A P31941 1/20 0.41
GFER P55789 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
PIK3CG P48736 1/20 0.40
PTPN1 P18031 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 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
SCHEMBL8388403 0.82 MAPT (0.44) MAPTSMN1; SMN2MCL1HSD11B1BRD4
SCHEMBL19336432 0.79 GSTA1 (0.43) ACMSDHNF4ADHFRMCL1IKBKB
SCHEMBL29982561 0.76 CYP3A4 (0.42) MAPTSMN1; SMN2MCL1KDM4E
SCHEMBL24220 0.76 CYP3A4 (0.42) MAPTSMN1; SMN2MCL1KDM4E
SCHEMBL7673881 0.75 ACMSD (0.61) MAPTSMN1; SMN2ACMSDHNF4ADHFR
SCHEMBL2070297 0.75 MCL1 (0.72) MAPTSMN1; SMN2ACMSDHNF4ADHFR
SCHEMBL31413664 0.75 SMN1; SMN2 (0.53) MAPTSMN1; SMN2ACMSDHNF4ADHFR
SCHEMBL7125464 0.75 MAPT (0.53) MAPTSMN1; SMN2ACMSDHNF4ADHFR
SCHEMBL5951431 0.75 SMN1; SMN2 (0.53) MAPTSMN1; SMN2ACMSDHNF4ADHFR
Ethane SCHEMBL28057225 0.74 TRIM58 (0.45) MAPTDHFRPTGS2KDM4EPTPN1

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
CN-104812790-B Organopolysiloxane graft polymers 花王株式会社 2019-04-12 CN disclosed
CN-104812790-A Organopolysiloxane graft polymer KAO CORP 2015-07-29 CN disclosed