SCHEMBL25587635

SCHEMBL25587635

CCc1cc(Cc2cc(CC)c(N(C)C)c(CC)c2)cc(CC)c1N(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SHBG P04278 1/20 0.33
DHFR P00374 3/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
PSMB5 P28074 1/20 0.31
BACE1 P56817 1/20 0.31
HSPA5 P11021 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
SCHEMBL3214261 0.88 PTGS2 (0.38) MEN1POLBGAAKMT2APSMB5
SCHEMBL27908278 0.78 KMT2A (0.36) ALDH1A1MAPK1MEN1POLBGAA
SCHEMBL637171 0.76 GABRA1 (0.36) CYP3A4TSHRMEN1POLBGAA
SCHEMBL9812178 0.76 PTGS2 (0.48) ALDH1A1CYP3A4SHBG
SCHEMBL16572135 0.74 MEN1 (0.31) MEN1POLBGAAKMT2APSMB5
SCHEMBL27721778 0.74 MEN1 (0.31) MEN1POLBGAAKMT2APSMB5
SCHEMBL636020 0.74 MEN1 (0.31) MEN1POLBGAAKMT2APSMB5
SCHEMBL636019 0.73 MEN1 (0.33) MEN1POLBGAAKMT2A
SCHEMBL636402 0.73 MEN1 (0.30) MEN1POLBGAAKMT2A
SCHEMBL27721686 0.73 MEN1 (0.30) MEN1POLBGAAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183440-A1 CHEMOENZYMATIC DEGRADATION OF EPOXY RESINS SOLVAY SA (BE) 2023-06-15 US disclosed
US-20230183440-A1 CHEMOENZYMATIC DEGRADATION OF EPOXY RESINS SOLVAY SA (BE) 2023-06-15 US disclosed