SCHEMBL28039445

SCHEMBL28039445

CC(=O)Cc1cc[c]c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
SIRT5 Q9NXA8 1/20 0.35
ATM Q13315 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.34
SQSTM1 Q13501 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL663537 0.80 GABRA1 (0.32) ATMALDH1A1
SCHEMBL13718969 0.77 CYP2A6 (0.36) TDP1L3MBTL1MAPTLMNAGAA
SCHEMBL266575 0.74 TDP1 (0.69) TDP1L3MBTL1SIRT5ATMKMT2A
SCHEMBL30716622 0.74 TDP1 (0.69) TDP1L3MBTL1SIRT5ATMKMT2A
SCHEMBL18791620 0.73 CYP1A2 (0.50) TDP1L3MBTL1MAPTLMNAPOLB
SCHEMBL4319548 0.73 KDM4E (0.42) L3MBTL1MAPTLMNAPOLBGAA
SCHEMBL297548 0.72 TDP1 (0.61) TDP1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL3477677 0.72 L3MBTL1 (0.33) L3MBTL1KMT2AALDH1A1
SCHEMBL8382670 0.72 IDO1 (0.35)
SCHEMBL7746016 0.72

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-104955332-B The method of preventing and treating arthropod insect 住友化学株式会社 2017-03-29 CN disclosed
CN-104955332-A Method for controlling arthropod pest SUMITOMO CHEMICAL CO 2015-09-30 CN disclosed