SCHEMBL22453597

SCHEMBL22453597

COC(=O)c1ccccc1Nc1ccc(Oc2ccc(C3CCCCC3)cc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ PNLIP P16233 7/20 0.45
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ GRM4 Q14833 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ P2RY1 P47900 1/20 0.41
▸ PTGS2 P35354 1/20 0.40
▸ GCGR P47871 1/20 0.40
▸ PPARG P37231 2/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PPARA Q07869 1/20 0.40

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
SCHEMBL22452463 0.90 DHODH (0.46) MAPTPNLIPALDH1A1KMT2A
SCHEMBL22453594 0.89 MEN1 (0.47) MAPTPNLIPKDM4EALDH1A1HPGD
SCHEMBL22453400 0.86 DHODH (0.46) MAPTALOX15KDM4EALDH1A1HPGD
SCHEMBL22452475 0.83 MEN1 (0.58) MAPTPNLIPHPGDPOLBKMT2A
SCHEMBL22453390 0.78 DHODH (0.42) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL22453592 0.78 MRGPRX4 (0.53) MAPTALOX15PNLIPKDM4EKMT2A
SCHEMBL22452646 0.77 SERPINE1 (0.50) MAPTALOX15KDM4EALDH1A1HPGD
SCHEMBL22453205 0.77 MAPT (0.46) MAPTALOX15PNLIPGCGR
SCHEMBL22452663 0.76 DHODH (0.54) GRM4POLBKMT2A
SCHEMBL27232464 0.76 MAPT (0.55) MAPTPNLIPALDH1A1HPGDNPSR1

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-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 — — WO disclosed
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