SCHEMBL29318559

SCHEMBL29318559

CC1(C)CCC(c2ccc(Cl)cc2F)=C(C=O)C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.33
FASN P49327 1/20 0.33
PTGS1 P23219 1/20 0.33
CES1 P23141 2/20 0.33
MALT1 Q9UDY8 1/20 0.32
GRM2 Q14416 3/20 0.32
KMO O15229 2/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30

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
SCHEMBL30075034 0.90 PTGS2 (0.33) PTGS2FASNPTGS1CES1GRM2
SCHEMBL16037793 0.90 PTGS2 (0.33) PTGS2FASNPTGS1CES1GRM2
SCHEMBL29319415 0.85 PTGS2 (0.33) PTGS2FASNPTGS1GRM2KMO
SCHEMBL15921407 0.80 ERN1 (0.43)
SCHEMBL1497714 0.77 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL29320708 0.76 KMT2A (0.36) PTGS2FASNGRM2KMO
SCHEMBL15920816 0.76 PGR (0.40)
SCHEMBL29750072 0.75 FASN (0.31) PTGS2FASNPTGS1CES1GRM2
SCHEMBL15920855 0.75 PGR (0.35)
SCHEMBL16039916 0.74 FASN (0.35) PTGS2FASNPTGS1CES1GRM2

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
EP-4397661-A1 COMPOUND FOR DEGRADATION OF BCL-2 FAMILY PROTEINS AND MEDICAL APPLICATION THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-07-10 EP disclosed