SCHEMBL20482686

SCHEMBL20482686

COCCCOc1cc(CC2(C(=O)O)CCC2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 4/20 0.39
▸ ITGA4 P13612 4/20 0.39
▸ PPARA Q07869 5/20 0.39
▸ PPARG P37231 4/20 0.39
▸ KDM4E B2RXH2 6/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MME P08473 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ REN P00797 1/20 0.35
▸ PPARD Q03181 1/20 0.35

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
SCHEMBL20482542 0.98 ITGB1 (0.41) ITGB1ITGA4PPARAPPARGKDM4E
SCHEMBL20482266 0.87 PPARA (0.36) PPARAPPARGKDM4EMAPTMAPK1
SCHEMBL20482551 0.87 KMT2A (0.49) KDM4EMEN1KMT2AMAPTATM
SCHEMBL4504503 0.85 HSD11B1 (0.41) ITGB1ITGA4PPARGKDM4EMEN1
SCHEMBL20482558 0.82 MEN1 (0.45) PPARAPPARGMEN1KMT2AMAPT
SCHEMBL20482573 0.82 ITGB1 (0.46) ITGB1ITGA4MEN1KMT2AALDH1A1
SCHEMBL20482458 0.81 HPGD (0.47) MEN1KMT2AMAPTALDH1A1
SCHEMBL20482585 0.81 L3MBTL1 (0.36) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL20482612 0.80 KDM4E (0.36) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL20482537 0.79 REN (0.43) ITGB1ITGA4PPARAALDH1A1REN

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-2018154466-A1 DIHYDROQUINOLIZINONES AS ANTIVIRALS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-30 — — WO disclosed
Send feedback