SCHEMBL8317306

SCHEMBL8317306

Cc1cc(C(=O)O)ccc1NC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 14/20 0.68
RARG P13631 13/20 0.68
RARA P10276 12/20 0.68
CYP26A1 O43174 6/20 0.68
CYP3A4 P08684 4/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
ALDH1A1 P00352 1/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C9 P11712 1/20 0.68
TSHR P16473 1/20 0.68
MAPK1 P28482 1/20 0.68
CYP2C19 P33261 1/20 0.68
PGR P06401 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
TBXA2R P21731 1/20 0.61
BLVRB P30043 1/20 0.61
RXRA P19793 9/20 0.57
RXRB P28702 7/20 0.57
RXRG P48443 5/20 0.57

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 0.83 RARB (0.65) RARBRARGRARACYP26A1CYP3A4
SCHEMBL846110 0.82 RARB (0.81) RARBRARGRARACYP26A1CYP3A4
SCHEMBL29827631 0.82 RARB (0.81) RARBRARGRARACYP26A1CYP3A4
SCHEMBL29355626 0.81 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
SCHEMBL726740 0.81 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
Hydrochloric Acid SCHEMBL9120757 0.80 RARB (0.78) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9125988 0.80 RARB (0.64) RARBRARGRARACYP26A1CYP3A4
Hydrazine SCHEMBL9430381 0.79 RARB (0.76) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9132211 0.78 CYP26A1 (0.55) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9117662 0.77 RARB (0.68) 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
EP-0963981-A1 Biaryl heterocyclic aromatic compounds, pharmaceutical and cosmetic compositions containing them and uses thereof Galderma Research & Development, S.N.C. (FR) 1999-12-15 EP disclosed