SCHEMBL8557004

SCHEMBL8557004

CC1(C)CCC(C)(C)c2cc(C(N)(O)C(=O)Nc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.62
RARG P13631 8/20 0.62
RARA P10276 6/20 0.62
CYP26A1 O43174 6/20 0.62
CYP3A4 P08684 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
CYP2C19 P33261 1/20 0.62
PGR P06401 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
TBXA2R P21731 1/20 0.62
BLVRB P30043 1/20 0.62
RXRA P19793 13/20 0.60
RXRB P28702 9/20 0.60
RXRG P48443 6/20 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
SCHEMBL1615388 0.85 RARB (0.64) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8558424 0.80 RXRA (0.56) RARBRARGRARACYP26A1CYP3A4
SCHEMBL29355626 0.77 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
Tamibarotene SCHEMBL29373818 0.77 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
Tamibarotene SCHEMBL36207 0.77 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
SCHEMBL726740 0.77 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
SCHEMBL4419817 0.77 CYP26A1 (0.50) RARBRARGRARACYP26A1CYP3A4
Tamibarotene SCHEMBL21055743 0.76 RARB (0.97) RARBRARGRARACYP26A1CYP3A4
SCHEMBL5080297 0.75 RARB (0.76) RARBRARGRARACYP26A1CYP3A4
SCHEMBL1615210 0.74 RARA (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5709867-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-20 US claimed
US-5709867-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-20 US disclosed