SCHEMBL8460875

SCHEMBL8460875

Cc1c(C)c2c(c(C)c1OCc1ccc(C(=O)O)cc1)CCC(C)(C)O2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.47
RXRA P19793 6/20 0.46
RXRB P28702 5/20 0.46
RXRG P48443 4/20 0.46
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR4A2 P43354 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
SCHEMBL8461788 0.86 PSEN1 (0.48) PSEN1RXRARXRBRXRG
SCHEMBL8308667 0.86 PSEN1 (0.45) PSEN1POLB
SCHEMBL8457574 0.83 PSEN1 (0.45) PSEN1RXRARXRBRXRG
SCHEMBL5957804 0.82 PSEN1 (0.40) PSEN1
SCHEMBL7796530 0.80 PSEN1 (0.41) PSEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6597291 0.78 PSEN1 (0.65) PSEN1
SCHEMBL4592776 0.78 PSEN1 (0.65) PSEN1
SCHEMBL10074171 0.78 PSEN1 (0.60) PSEN1
SCHEMBL10547297 0.76 PSEN1 (0.48) PSEN1
SCHEMBL10536937 0.76 PSEN1 (0.48) PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999048529-A1 RETINOID-GLITAZONE COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-30 WO disclosed
EP-0808159-A1 USE OR RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1997-11-26 EP disclosed
WO-1996024344-A1 USE OF RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1996-08-15 WO disclosed
US-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed