SCHEMBL27393718

SCHEMBL27393718

COc1ccc(C)c(N(C)C(C)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSPO P30536 2/20 0.41
▸ FSCN1 Q16658 1/20 0.41
▸ HSD17B1 P14061 3/20 0.41
▸ HSD17B2 P37059 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ STS P08842 1/20 0.39
▸ KCNJ6 P48051 1/20 0.39
▸ KCNJ5 P48544 1/20 0.39
▸ KCNJ3 P48549 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
SCHEMBL14925281 0.86 KMT2A (0.46) ALDH1A1HTTTSHRKMT2AMEN1
SCHEMBL5688285 0.80 ALDH1A1 (0.41) ALDH1A1HTTMAPK1CYP3A4HPGD
SCHEMBL26032149 0.78 POLB (0.48) CYP2C9ALDH1A1HTTKMT2AMEN1
SCHEMBL24834354 0.78 CYP2C9 (0.37) CYP2C9ALDH1A1KMT2AMEN1HPGD
SCHEMBL6074176 0.78 MAPT (0.51) ALDH1A1HTTMAPK1CYP3A4HPGD
SCHEMBL11135619 0.77 CA12 (0.42) CYP2C9ALDH1A1TSHRKMT2AMEN1
SCHEMBL9396479 0.76 POLB (0.46) ALDH1A1KMT2AMEN1MAPK1HPGD
SCHEMBL11208904 0.74 CYP2C9 (0.40) CYP2C9ALDH1A1HTTTSHRKMT2A
SCHEMBL14662766 0.73 POLB (0.42) CYP2C9ALDH1A1HTTMAPK1CYP3A4
SCHEMBL9396448 0.73 POLB (0.55) ALDH1A1KMT2AMEN1MAPK1HPGD

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-2024121259-A1 TARGETED PROTEIN DEGRADATION USING PRODRUGS OF BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2024-06-13 — — WO disclosed
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