SCHEMBL30859413

SCHEMBL30859413

CCCCCCCCC(Br)C(=O)c1c(C)c(OC)c(OC)c(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 2/20 0.50
LCK P06239 1/20 0.46
PPARD Q03181 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
FAAH O00519 3/20 0.35
TOP1 P11387 3/20 0.34
MMP1 P03956 2/20 0.34
MMP9 P14780 2/20 0.34
MMP13 P45452 2/20 0.34
ADAM17 P78536 2/20 0.34
GPR84 Q9NQS5 3/20 0.33
FFAR1 O14842 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
PLA2G2A P14555 1/20 0.33
PLA2G5 P39877 1/20 0.33
MAPT P10636 1/20 0.33
CNR1 P21554 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
SCHEMBL29767830 0.80 ZDHHC7 (0.44) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL29767822 0.77 ALOX5 (0.46) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL30859433 0.76 ZDHHC7 (0.46) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL8321622 0.71 ZDHHC7 (0.72) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL4704070 0.71 ZDHHC7 (0.72) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL5708286 0.71 ZDHHC7 (0.72) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL1007430 0.71 ZDHHC7 (0.72) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL10993066 0.71 ZDHHC7 (0.72) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL8334600 0.71 ZDHHC7 (0.72) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL9548556 0.71 ZDHHC7 (0.72) ZDHHC7LCKPPARDZDHHC20ZDHHC2

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-117769559-A TRAP1 inhibitors and uses thereof 斯玛特恩生物公司 2024-03-26 CN disclosed