SCHEMBL8559124

SCHEMBL8559124

CC1(C)CCC(C)(C)c2cc(C(=NO)C(=O)Nc3ccccc3C(=O)O)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.48
RARB P10826 12/20 0.48
RARG P13631 11/20 0.48
RARA P10276 9/20 0.48
CYP26A1 O43174 5/20 0.48
CYP3A4 P08684 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
RXRA P19793 9/20 0.47
RXRB P28702 7/20 0.47
RXRG P48443 5/20 0.47
CYP26B1 Q9NR63 2/20 0.46
PGR P06401 1/20 0.46
ADORA3 P0DMS8 1/20 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
SCHEMBL8556718 0.88 RXRA (0.55) HNF4ARARBRARGRARACYP26A1
SCHEMBL8345598 0.86 RARB (0.45) HNF4ARARBRARGRARACYP26A1
SCHEMBL8555708 0.84 RXRA (0.52) HNF4ARARBRARGRARACYP26A1
SCHEMBL9125988 0.83 RARB (0.64) HNF4ARARBRARGRARACYP26A1
SCHEMBL8347392 0.82 RXRA (0.41) HNF4ARARBRARGRARACYP26A1
SCHEMBL8347051 0.82 RXRA (0.41) HNF4ARARBRARGRARACYP26A1
SCHEMBL8100671 0.81 RARB (0.69) HNF4ARARBRARGRARACYP26A1
SCHEMBL8100670 0.81 RARB (0.69) HNF4ARARBRARGRARACYP26A1
SCHEMBL8555502 0.81 RXRA (0.52) HNF4ARARBRXRARXRBRXRG
SCHEMBL8556422 0.81 RXRA (0.52) HNF4ARARBRXRARXRBRXRG

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