SCHEMBL8458254

SCHEMBL8458254

CC1(C)CCC(C)(C)c2cc([N+](=O)[O-])c(NC(=O)c3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.58
RARG P13631 7/20 0.58
RARA P10276 6/20 0.58
CYP26A1 O43174 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
CYP3A4 P08684 3/20 0.58
PGR P06401 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
TBXA2R P21731 1/20 0.58
BLVRB P30043 1/20 0.58
HCAR3 P49019 2/20 0.56
MAPK1 P28482 3/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49

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
SCHEMBL8459822 0.81 RARB (0.65) RARBRARGRARACYP26A1MEN1
SCHEMBL9868167 0.81 RARB (0.65) RARBRARGRARACYP26A1MEN1
SCHEMBL7691901 0.80 RARB (0.64) RARBRARGRARACYP26A1MEN1
SCHEMBL8458419 0.80 RARB (0.64) RARBRARGRARACYP26A1MEN1
SCHEMBL8458901 0.80 RARB (0.64) RARBRARGRARACYP26A1MEN1
Tamibarotene SCHEMBL36207 0.74 RARB (1.00) RARBRARGRARACYP26A1MEN1
Tamibarotene SCHEMBL29373818 0.74 RARB (1.00) RARBRARGRARACYP26A1MEN1
SCHEMBL8460471 0.73 RXRA (0.52) RARBRARGRARACYP26A1MEN1
Tamibarotene SCHEMBL21055743 0.73 RARB (0.97) RARBRARGRARACYP26A1MEN1
SCHEMBL8522300 0.73 RARB (0.58) RARBRARGRARACYP26A1MEN1

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