SCHEMBL20837481

SCHEMBL20837481

CCOC(=O)CCCCN(CCOCc1ccc(Oc2ccccc2)cc1)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43
LTA4H P09960 6/20 0.42
CETP P11597 2/20 0.41
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
BCHE P06276 4/20 0.39
ACHE P22303 4/20 0.39
TBXAS1 P24557 1/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL20837480 0.84 NPC1 (0.45) LPAR1LPAR5LTA4HMAPTRAB9A
SCHEMBL20837581 0.83 HDAC3 (0.42) LTA4HMAPTBCHEACHEALDH1A1
SCHEMBL20837477 0.82 MAPT (0.37) LTA4HMAPTRAB9ABCHEACHE
SCHEMBL16663712 0.79 ADRB3 (0.39) LPAR1LPAR5LTA4HCETP
SCHEMBL20837540 0.78 MEP1B (0.40) LTA4HMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL18070848 0.78 FFAR1 (0.38) LPAR1LPAR5LTA4HCETPMAPT
SCHEMBL2997165 0.77 CYP4F2 (0.46) LPAR1LPAR5MAPTBCHEACHE
SCHEMBL20837712 0.76 CYP3A4 (0.40) LPAR1LPAR5LTA4HMAPTRAB9A
SCHEMBL13206909 0.76 MEP1B (0.43) MAPTRAB9ABCHEACHEKMT2A
SCHEMBL2992339 0.76 PDE6D (0.43) LPAR1LPAR5MAPTBCHEACHE

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
EP-3059224-B1 4-AMINOMETHYLBENZOIC ACID DERIVATIVE TOA EIYO LTD (JP) 2019-03-20 EP disclosed