SCHEMBL17832980

SCHEMBL17832980

CC1(C)CCC(C)(I)c2ccc(NC(=O)c3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.83
RARG P13631 9/20 0.83
RARA P10276 8/20 0.83
CYP26A1 O43174 6/20 0.83
CYP3A4 P08684 4/20 0.83
MEN1 O00255 2/20 0.83
KMT2A Q03164 2/20 0.83
PGR P06401 1/20 0.83
ADORA3 P0DMS8 1/20 0.83
TBXA2R P21731 1/20 0.83
BLVRB P30043 1/20 0.83
ALDH1A1 P00352 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2C9 P11712 1/20 0.70
TSHR P16473 1/20 0.70
MAPK1 P28482 1/20 0.70
CYP2C19 P33261 1/20 0.70
CYP26B1 Q9NR63 2/20 0.63
RXRA P19793 11/20 0.52
RXRB P28702 9/20 0.52

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
Tamibarotene SCHEMBL29373818 0.91 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
Tamibarotene SCHEMBL36207 0.91 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
Tamibarotene SCHEMBL21055743 0.90 RARB (0.97) RARBRARGRARACYP26A1CYP3A4
Tamibarotene SCHEMBL21274219 0.84 RARB (0.85) RARBRARGRARACYP26A1CYP3A4
Tamibarotene SCHEMBL21274122 0.83 RARB (0.83) RARBRARGRARACYP26A1CYP3A4
SCHEMBL726740 0.83 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
SCHEMBL29355626 0.83 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
SCHEMBL22872722 0.82 RARB (0.83) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8461601 0.81 CYP26A1 (0.82) RARBRARGRARACYP26A1CYP3A4
SCHEMBL1615110 0.80 RARA (0.80) 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-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed