SCHEMBL4369919

SCHEMBL4369919

COC(=O)c1conc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.51
▸ ALPL P05186 1/20 0.49
▸ CNR1 P21554 5/20 0.48
▸ GPBAR1 Q8TDU6 1/20 0.47
▸ ABL1 P00519 1/20 0.46
▸ SLC6A3 Q01959 2/20 0.45
▸ MAPT P10636 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NR4A2 P43354 2/20 0.41
▸ SLC6A4 P31645 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
SCHEMBL12501878 0.83 TP53 (0.50) PTPN1ALPLCNR1GPBAR1ALDH1A1
SCHEMBL27946184 0.80 SLC6A3 (0.51) PTPN1GPBAR1ABL1SLC6A3MAPT
SCHEMBL28734830 0.73 ABL1 (0.56) ALPLABL1SLC6A3MAPTMRGPRX4
SCHEMBL4368062 0.73 ALPL (0.49) ALPLCNR1ABL1SLC6A3MAPT
SCHEMBL5362212 0.73 CNR1 (0.70) CNR1
SCHEMBL16871335 0.73 SLC6A3 (0.65) ALPLCNR1ABL1SLC6A3MAPT
SCHEMBL608814 0.72 ABL1 (0.68) ABL1MAPTKDM4EALDH1A1NR4A2
SCHEMBL4363906 0.72 ABL1 (0.62) ALPLABL1SLC6A3MAPTKDM4E
SCHEMBL1919841 0.71 ALPL (0.56) ALPLCNR1ABL1SLC6A3MAPT
SCHEMBL28816298 0.71 ALPL (0.50) ALPLCNR1SLC6A3MAPTMRGPRX4

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-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 — — WO disclosed
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