SCHEMBL25980305

SCHEMBL25980305

COc1ccc(C2CCC(C=O)CC2)nc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ NR1H4 Q96RI1 2/20 0.39
▸ USP8 P40818 3/20 0.39
▸ USP7 Q93009 3/20 0.39
▸ PDE4D Q08499 1/20 0.34
▸ MAPT P10636 5/20 0.34
▸ GAA P10253 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HTT P42858 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ IMPDH2 P12268 1/20 0.32
▸ IMPDH1 P20839 1/20 0.32
▸ AR P10275 1/20 0.32

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
SCHEMBL21876181 1.00 HPGD (0.39) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL21876180 1.00 HPGD (0.39) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL29372186 1.00 HPGD (0.39) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL21876169 0.82 KDM4E (0.40) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL21876170 0.82 KDM4E (0.40) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL21834208 0.81 PDE4A (0.35) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL21834207 0.81 PDE4A (0.35) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL21876219 0.71 ALDH1A1 (0.45) KDM4EALDH1A1PDE4DIMPDH2IMPDH1
SCHEMBL21876221 0.71 ALDH1A1 (0.45) KDM4EALDH1A1PDE4DIMPDH2IMPDH1
SCHEMBL29372177 0.71 ALDH1A1 (0.45) KDM4EALDH1A1PDE4DIMPDH2IMPDH1

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-3596053-B1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO INC (US) 2023-08-16 — — EP disclosed
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