SCHEMBL22131724

SCHEMBL22131724

Oc1nccc2c(OCc3ccccc3)nccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ ACACB O00763 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PDE5A O76074 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ PLAT P00750 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CNR2 P34972 4/20 0.41

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
SCHEMBL7681220 0.78 L3MBTL1 (0.46) LMNACYP1A2ACACBALDH1A1HTT
SCHEMBL15367189 0.78 LMNA (0.46) LMNAACACBALDH1A1HTTHPGD
SCHEMBL30417980 0.78 L3MBTL1 (0.46) LMNACYP1A2ACACBALDH1A1HTT
SCHEMBL4275782 0.76 PDE5A (0.51) LMNAPDE5APLAUPLATL3MBTL1
SCHEMBL24215198 0.76 L3MBTL1 (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL31091535 0.72 MAOB (0.50) LMNAALDH1A1HTTHPGDTSHR
SCHEMBL15349084 0.72 MAOB (0.50) LMNAALDH1A1HTTHPGDTSHR
SCHEMBL8526782 0.72 LTA4H (0.66) ALDH1A1HTTMAPK1PDE5AL3MBTL1
SCHEMBL15507773 0.71 GABRA5 (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2645138 0.70 LTA4H (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19

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-3670496-A2 ACC2 INHIBITORS Shionogi&Co., Ltd. (JP) 2020-06-24 — — EP disclosed
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