SCHEMBL30953787

SCHEMBL30953787

COC(=O)C1CCOc2cc(C(F)(F)F)ccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
TRPV1 Q8NER1 9/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.38
GUSB P08236 1/20 0.38
CFTR P13569 1/20 0.36

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
SCHEMBL915090 0.84 MAOB (0.38) TRPV1PTGDR2
SCHEMBL914231 0.79 CYP19A1 (0.43)
SCHEMBL912877 0.79 MEN1 (0.39)
SCHEMBL28736086 0.77 KDM4E (0.46) CFTR
SCHEMBL10334508 0.77 IMPDH2 (0.41) CYP2C19
SCHEMBL913653 0.76 KDM4E (0.35) PTGDR2
SCHEMBL10334490 0.76 CYP1A2 (0.38) CYP2C19
SCHEMBL10334479 0.75 CYP19A1 (0.49) CYP2C19
SCHEMBL4879254 0.75 NPC1 (0.45)
SCHEMBL14059245 0.75 CYP19A1 (0.43) CYP2C19LMNA

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
WO-2024140431-A1 COMPOUNDS COMPRISING HETEROARYL RINGS AND COMPOSITIONS AND METHODS THEREOF IONGEN THERAPEUTICS CO., LTD. (CN) 2024-07-04 WO disclosed