SCHEMBL30934635

SCHEMBL30934635

O=C(O)C1CCc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.43
RORC P51449 3/20 0.43
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
PNMT P11086 3/20 0.40
HDAC8 Q9BY41 1/20 0.40
CNR2 P34972 1/20 0.40
AADAT Q8N5Z0 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL25026111 1.00 NOTUM (0.43) NOTUMRORCADRB1ADRB3PNMT
SCHEMBL30233901 0.90 AKR1C3 (0.40) NOTUMRORCADRB1ADRB3HDAC8
SCHEMBL1016128 0.87 PNMT (0.47) NOTUMPNMTCNR2AADAT
SCHEMBL14439414 0.85 RORC (0.41) RORC
SCHEMBL30934719 0.83 MAPT (0.41) NOTUMHDAC8KMT2A
SCHEMBL25026109 0.83 MAPT (0.41) NOTUMHDAC8KMT2A
SCHEMBL11976231 0.82 KIF11 (0.49) NOTUM
SCHEMBL24440190 0.80 HDAC8 (0.42) NOTUMHDAC8
SCHEMBL31262473 0.80 HDAC8 (0.42) NOTUMHDAC8
SCHEMBL31232515 0.79 BRAF (0.45) RORC

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-118119595-A Compounds and compositions for the treatment of diseases associated with STING activity 艾福姆德尤股份有限公司 2024-05-31 CN disclosed