SCHEMBL22845650

SCHEMBL22845650

CC1(C)CCC(C)(C)c2cc(Nc3ccc(C(=O)O)cn3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.61
RARG P13631 9/20 0.61
RARA P10276 7/20 0.61
CYP26A1 O43174 4/20 0.61
CYP3A4 P08684 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
PGR P06401 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
TBXA2R P21731 1/20 0.61
BLVRB P30043 1/20 0.61
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57
HCAR3 P49019 1/20 0.56
RXRA P19793 14/20 0.54
RXRB P28702 12/20 0.54

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
SCHEMBL17049073 0.88 CYP3A4 (0.54) RARBRARGRARACYP26A1CYP3A4
SCHEMBL5180319 0.86 RARB (0.59) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7723495 0.84 RARB (0.74) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8557337 0.82 RARB (0.73) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9117662 0.82 RARB (0.68) RARBRARGRARACYP26A1CYP3A4
SCHEMBL22845645 0.81 RXRA (0.60) RARBRARGRARACYP26A1MEN1
SCHEMBL5680243 0.79 RARB (0.71) RARBRARGRARACYP26A1CYP3A4
SCHEMBL11564878 0.77 HCAR3 (0.83) HCAR3
SCHEMBL11563648 0.77 HCAR3 (0.63) MEN1KMT2AHCAR3
SCHEMBL8552419 0.77 RARA (0.71) RARBRARGRARACYP26A1CYP3A4

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
WO-2020263960-A1 COMPOSITIONS COMPRISING A RETINOID X RECEPTOR (RXR) AGONIST, A RETINOIC ACID RECEPTOR (RAR) AGONIST, OR A DUAL RXR/RAR AGONIST WAGNER CARL (US) 2020-12-30 WO disclosed