SCHEMBL29318065

SCHEMBL29318065

CC1(C)CCC(c2ccc(C#N)cc2)=C(C=O)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
POLB P06746 1/20 0.39
MALT1 Q9UDY8 1/20 0.34
MMP3 P08254 2/20 0.34
MMP2 P08253 2/20 0.34
KIF11 P52732 1/20 0.33
CYP11B2 P19099 3/20 0.32
CYP11B1 P15538 1/20 0.32
BUB1 O43683 1/20 0.31
GAA P10253 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
PGR P06401 1/20 0.31
MGAT2 Q10469 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL28417328 0.81 PTGS2 (0.44) PTGS2MALT1ALDH1A1
SCHEMBL1497714 0.81 PTGS2 (0.44) PTGS2POLBALDH1A1
SCHEMBL28441891 0.80 NPC1 (0.38) PTGS2ALDH1A1
SCHEMBL15920816 0.70 PGR (0.40) CA1CA2PGR
SCHEMBL16076085 0.70 PTGS2 (0.39) PTGS2POLBGAAMGAT2ALDH1A1
SCHEMBL30790602 0.69 PTGS2 (0.48) PTGS2ALDH1A1
SCHEMBL1700136 0.69 PTGS2 (0.48) PTGS2POLBALDH1A1
SCHEMBL24170804 0.68 NPC1 (0.38) PTGS2ALDH1A1
SCHEMBL15920855 0.67 PGR (0.35) BUB1PGR
SCHEMBL1958631 0.66 PTGS2 (0.55) PTGS2POLBCYP11B2ALDH1A1

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