SCHEMBL29295014

SCHEMBL29295014

COc1cc(C#N)ccc1/C=C(\C(C)=O)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SLC16A3 O15427 4/20 0.36
▸ SLC16A1 P53985 4/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ AR P10275 2/20 0.35
▸ CFB P00751 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PLIN1 O60240 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PLIN5 Q00G26 1/20 0.34
▸ ABHD5 Q8WTS1 1/20 0.34

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
SCHEMBL31295841 0.88 CYP3A4 (0.43) CYP3A4CYP2C9CYP1A2GAATDP1
SCHEMBL2463716 0.87 GAA (0.48) CYP3A4CYP2C9CYP1A2GAATDP1
SCHEMBL30605984 0.84 SLC16A3 (0.44) CYP3A4CYP2C9CYP1A2GAATDP1
SCHEMBL3622139 0.83 MAPT (0.54) CYP3A4CYP2C9CYP1A2GAATDP1
SCHEMBL3622141 0.83 MAPT (0.54) CYP3A4CYP2C9CYP1A2GAATDP1
SCHEMBL23142439 0.83 CYP1A2 (0.51) CYP3A4CYP2C9CYP1A2GAATDP1
SCHEMBL18583713 0.83 CYP1A2 (0.51) CYP3A4CYP2C9CYP1A2GAATDP1
SCHEMBL18583806 0.83 CYP1A2 (0.51) CYP3A4CYP2C9CYP1A2GAATDP1
SCHEMBL31122748 0.82 MEN1 (0.39) CYP3A4CYP2C9CYP1A2GAATDP1
SCHEMBL17483814 0.81 LMNA (0.41) CYP3A4CYP2C9CYP1A2GAATDP1

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-2024147053-A1 IMPROVED PROCESS FOR THE PREPARATION OF FINERENONE OPTIMUS DRUGS PVT LTD (IN) 2024-07-11 — — WO disclosed
Send feedback