SCHEMBL8604289

SCHEMBL8604289

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 8/20 0.53
RARB P10826 8/20 0.53
RARG P13631 8/20 0.53
CYP3A4 P08684 4/20 0.53
RXRA P19793 3/20 0.45
RARA P10276 7/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP26B1 Q9NR63 5/20 0.44
RXRB P28702 1/20 0.43
RORC P51449 1/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
TBXA2R P21731 1/20 0.42

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
SCHEMBL8106316 0.87 CYP26A1 (0.44) CYP26A1RARBRARGCYP3A4RXRA
SCHEMBL5080286 0.83 RARB (0.71) CYP26A1RARBRARGCYP3A4RXRA
SCHEMBL8438993 0.81 CYP26A1 (0.51) CYP26A1RARBRARGCYP3A4RXRA
SCHEMBL8093042 0.80 RORC (0.45) CYP26A1RARBRARGCYP3A4RXRA
SCHEMBL9822546 0.80 RXRA (0.64) CYP26A1RARBRARGCYP3A4RXRA
SCHEMBL8839114 0.77 RARG (0.57) CYP26A1RARBRARGCYP3A4RXRA
SCHEMBL8839311 0.76 RARG (0.50) CYP26A1RARBRARGCYP3A4RXRA
SCHEMBL8839136 0.75 RARB (0.52) CYP26A1RARBRARGCYP3A4RXRA
SCHEMBL10336596 0.73 RARB (0.69) CYP26A1RARBRARGCYP3A4RXRA
SCHEMBL7714860 0.73 RARB (0.44) CYP26A1RARBRARGCYP3A4RXRA

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
EP-0826368-A1 Use of retinoids for the preparation of a medicament for treating disorders related to VEGF overexpression CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1998-03-04 EP claimed
EP-0826368-A1 Use of retinoids for the preparation of a medicament for treating disorders related to VEGF overexpression CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1998-03-04 EP disclosed