SCHEMBL8556008

SCHEMBL8556008

CC1(C)CCC(C)(C)c2cc(C(N)C(=O)NOC(=O)c3ccccc3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.48
RXRB P28702 4/20 0.48
RARB P10826 11/20 0.45
RARG P13631 11/20 0.45
RARA P10276 8/20 0.45
CYP3A4 P08684 5/20 0.45
CYP26A1 O43174 4/20 0.45
CYP26B1 Q9NR63 1/20 0.45
RXRG P48443 2/20 0.41
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HNF4A P41235 1/20 0.40
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL8839167 0.88 RXRA (0.51) RXRARXRBRARBRARGRARA
SCHEMBL8555653 0.87 RXRA (0.47) RXRARXRBRARBRARGRARA
SCHEMBL8557721 0.85 RXRA (0.46) RXRARXRBRARBRARGRARA
SCHEMBL8555833 0.85 RXRA (0.46) RXRARXRBRARBRARGRARA
SCHEMBL8556496 0.81 RXRA (0.47) RXRARXRBRARBRARGRARA
SCHEMBL8102765 0.78 KMT2A (0.50) RXRARXRBRARBRARGRARA
SCHEMBL8706122 0.77 RXRA (0.56) RXRARXRBRARBRARGRARA
SCHEMBL8556007 0.76 RARB (0.50) RXRARXRBRARBRARGRARA
SCHEMBL8555469 0.75 RXRA (0.49) RXRARXRBRARBRARGRARA
SCHEMBL8093046 0.75 RARB (0.64) RXRARXRBRARBRARGRARA

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