SCHEMBL30278649

SCHEMBL30278649

O=C(O)CCc1ccc(Cl)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
KEAP1 Q14145 3/20 0.47
FABP4 P15090 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
FFAR1 O14842 4/20 0.44
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL30566287 0.89 PARP1 (0.59) PARP1KEAP1FABP4CYP1A2KMT2A
SCHEMBL6129578 0.89 PARP1 (0.59) PARP1KEAP1FABP4CYP1A2KMT2A
SCHEMBL17537941 0.83 HDAC3 (0.59) PARP1KEAP1FABP4CYP1A2KMT2A
SCHEMBL28776504 0.81 TDP1 (0.56) FABP4CYP1A2CYP2A6KMT2AATM
SCHEMBL17537567 0.81 TDP1 (0.56) PARP1KEAP1KMT2AFFAR1HDAC3
SCHEMBL21331867 0.81 CCNC (0.44) PARP1FABP4SLC22A12
SCHEMBL5696745 0.81 PARP1 (0.69) PARP1KEAP1KMT2AFFAR1HDAC3
SCHEMBL17537942 0.80 MAPT (0.56) PARP1KEAP1FABP4CYP1A2KMT2A
SCHEMBL17537572 0.79 HDAC3 (0.63) PARP1KEAP1FABP4CYP1A2KMT2A
SCHEMBL17537565 0.79 PARP1 (0.50) PARP1KEAP1KMT2AFFAR1HDAC3

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-115768456-A TSLP-specific bicyclic peptide ligands 拜斯科技术开发有限公司 2023-03-07 CN disclosed