SCHEMBL7876898

SCHEMBL7876898

CCCCC(ON=C(C(=O)Nc1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 6/20 0.52
RARB P10826 5/20 0.52
CYP3A4 P08684 4/20 0.52
RARG P13631 4/20 0.52
RARA P10276 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
PGR P06401 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
TBXA2R P21731 1/20 0.47
BLVRB P30043 1/20 0.47
RXRA P19793 13/20 0.46
RXRB P28702 9/20 0.46
RXRG P48443 8/20 0.46

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
SCHEMBL8773634 0.93 CYP26A1 (0.50) CYP26A1RARBCYP3A4RARGRARA
SCHEMBL7881530 0.92 CYP26A1 (0.49) CYP26A1RARBCYP3A4RARGRARA
SCHEMBL7876910 0.88 CYP26A1 (0.53) CYP26A1RARBCYP3A4RARGRARA
SCHEMBL7881552 0.88 CYP26A1 (0.52) CYP26A1RARBCYP3A4RARGRARA
SCHEMBL7876767 0.88 CYP26A1 (0.52) CYP26A1RARBCYP3A4RARGRARA
SCHEMBL7876904 0.88 CYP26A1 (0.52) CYP26A1RARBCYP3A4RARGRARA
SCHEMBL7876757 0.88 CYP26A1 (0.52) CYP26A1RARBCYP3A4RARGRARA
SCHEMBL7883300 0.88 CYP26A1 (0.52) CYP26A1RARBCYP3A4RARGRARA
SCHEMBL7876888 0.88 CYP26A1 (0.52) CYP26A1RARBCYP3A4RARGRARA
SCHEMBL8346566 0.86 PLK1 (0.42) CYP26A1RARBCYP3A4RARGRARA

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
US-6171603-B1 TREATING SKIN, HAIR, CARDIOVASCULAR, AUTOIMMUNE AND VISION DISORDERS; ADMINISTERING AS ANTICARCINOGENIC, ANTIDEPRESSANT,ANTIINFLAMMATORY, AND ANTIACNE AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2001-01-09 US disclosed