SCHEMBL4555973

SCHEMBL4555973

COc1cccc2c1C1Nc3ccc(C(=O)O)cc3C(C)(C)C1CO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
RARA P10276 6/20 0.35
RARB P10826 6/20 0.35
RARG P13631 6/20 0.35
F10 P00742 4/20 0.35
F7 P08709 4/20 0.35
F11 P03951 3/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA7 P43166 1/20 0.34
TPMT P51580 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34

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
SCHEMBL4863672 1.00 MAPT (0.36) MAPTTDP1RARARARBRARG
SCHEMBL4566100 0.93 KMT2A (0.36) MAPTTSHRKDM4E
SCHEMBL4566784 0.93 RARA (0.43) TDP1RARARARBRARGRXRA
SCHEMBL4611328 0.91 F10 (0.36) MAPTF10F7F11TSHR
SCHEMBL4439335 0.90 LMNA (0.34) F10
SCHEMBL4814831 0.90 LMNA (0.34) F10
SCHEMBL4864199 0.86 PDE4A (0.39) RARARARBRARGF10F7
SCHEMBL4811546 0.86 NPC1 (0.39) TDP1KDM4E
SCHEMBL14625088 0.86 NPC1 (0.39) TDP1KDM4E
SCHEMBL4597471 0.86 ACACB (0.39) MAPTTSHR

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-2125825-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2009-12-02 EP disclosed
WO-2008079139-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-07-03 WO disclosed