SCHEMBL7223563

SCHEMBL7223563

CC1(C)CCC(C)(C)c2cc(C=O)c(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.43
RARB P10826 9/20 0.41
RARG P13631 9/20 0.41
TDP1 Q9NUW8 1/20 0.39
RARA P10276 5/20 0.37
RXRB P28702 6/20 0.34
RXRG P48443 4/20 0.34
ERN1 O75460 2/20 0.33
CYP26A1 O43174 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP26B1 Q9NR63 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL34465231 1.00 RXRA (0.43) RXRARARBRARGTDP1RARA
SCHEMBL11122818 0.86 RARB (0.41) RXRARARBRARGRARARXRB
SCHEMBL4666462 0.78 RARG (0.51) RXRARARBRARGRARARXRB
SCHEMBL4666402 0.77 RARG (0.43) RXRARARBRARGRARARXRB
SCHEMBL4666464 0.77 PRKDC (0.44) RXRARARBRARGRARARXRB
SCHEMBL8807547 0.77 RXRA (0.44) RXRARARBRARGRARARXRB
SCHEMBL5947942 0.76 RXRA (0.44) RXRARARBRARGRARARXRB
SCHEMBL7218540 0.74 RXRA (0.46) RXRARARBRARGRARARXRB
SCHEMBL7713216 0.74 ALDH1A1 (0.55) RXRARARBRARGTDP1RARA
SCHEMBL8065980 0.73 RXRA (0.43) RXRARARBRARGRARARXRB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624188-B1 Administered to treat or prevent one or more of the diseases and conditions selected from the group consisting of dermatoses, atherosclerosis and restenosis resulting from neointimal hyperproliferation, non-malignant and ALLERGAN, INC. 2003-09-23 US disclosed
US-5498755-A IMINE COMPOUNDS FOR SKIN DISORDERS AND ANTIINFLAMMATORY AGENTS ALLERGAN, INC. 1996-03-12 US disclosed
WO-1996006070-A1 DISUBSTITUTED ARYL AND HETEROARYL IMINES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-02-29 WO disclosed
US-5475113-A Treatment of skin disorders, skin cancer ALLERGAN, INC. (US) 1995-12-12 US disclosed
US-5324840-A Skin disorders ALLERGAN, INC. (US) 1994-06-28 US disclosed