SCHEMBL4440984

SCHEMBL4440984

COc1cccc(OCCCc2oc(-c3c[nH]c(C)n3)nc2-c2ccc(Cl)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CETP P11597 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
MCL1 Q07820 1/20 0.36
ALDH1A3 P47895 2/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ATM Q13315 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CYP2C19 P33261 1/20 0.35
CASP7 P55210 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
SCHEMBL7508031 0.92 HSD17B10 (0.39) POLBCETPLMNATSHRHSD17B10
SCHEMBL4442467 0.91 MAPT (0.38) DYRK1ACLK4DYRK1BLMNASMN1; SMN2
SCHEMBL7507160 0.90 TDP1 (0.44) POLBRXFP1MCL1LMNASMN1; SMN2
SCHEMBL7507750 0.88 L3MBTL1 (0.35) ALDH1A1TDP1L3MBTL1KCNH2
SCHEMBL7509782 0.86 TDP1 (0.41) RXFP1TDP1L3MBTL1KCNH2
SCHEMBL7507831 0.86 SMN1; SMN2 (0.36) RXFP1LMNASMN1; SMN2MAPT
SCHEMBL7516627 0.86 DRD2 (0.39) RXFP1SMN1; SMN2ALDH1A1TDP1L3MBTL1
SCHEMBL4442879 0.85 HSD17B10 (0.38) POLBRXFP1SMN1; SMN2USP2ALDH1A1
SCHEMBL7508005 0.85 HTR1A (0.33) LMNASMN1; SMN2TDP1L3MBTL1PPARD
SCHEMBL7509955 0.85 PDGFRB (0.39) RXFP1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed