SCHEMBL7102170

SCHEMBL7102170

CCOC(=O)C(C)c1ccc(-n2c(CC)nc3cc(C(F)(F)F)c(Cl)cc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
NOTUM Q6P988 3/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
PDE2A O00408 1/20 0.33
HPGD P15428 1/20 0.33
MLYCD O95822 1/20 0.33
P2RX7 Q99572 1/20 0.33
AGPAT2 O15120 1/20 0.33
DHODH Q02127 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32

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
SCHEMBL27582779 0.90 AKR1C3 (0.42) SMN1; SMN2NOTUMESR1ESR2PDE2A
SCHEMBL7099008 0.89 SMN1; SMN2 (0.40) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL6892824 0.85 SMN1; SMN2 (0.34) SMN1; SMN2NOTUMESR1ESR2NR1H2
SCHEMBL7098251 0.85 SMN1; SMN2 (0.39) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL1626771 0.84 ESR1 (0.34) SMN1; SMN2NOTUMESR1ESR2NR1H2
SCHEMBL7100343 0.83 HTT (0.36) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL7097040 0.82 ESR1 (0.40) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL7100074 0.82 NPC1 (0.42) SMN1; SMN2
SCHEMBL6426223 0.82 PSEN1 (0.45) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL27600113 0.82 PSEN1 (0.47) SMN1; SMN2PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1477960-A EPA receptor inhibitors to treat rheumatoid arthritis 2004-02-25 CN disclosed
EP-1326606-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
EP-1326864-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
WO-2002032422-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed
WO-2002032900-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed