SCHEMBL9350206

SCHEMBL9350206

CC(C)Oc1ccc([C]=O)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
RORC P51449 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CSNK2A1 P68400 2/20 0.32
MEN1 O00255 1/20 0.32
NR1I2 O75469 1/20 0.32
PPOX P50336 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PTGS1 P23219 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
IRAK4 Q9NWZ3 2/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL8639006 0.81 ALDH1A1 (0.46) PTGDR2KMT2ATDP1ALDH1A1GAA
SCHEMBL16335953 0.77 TSHR (0.39) RORCCSNK2A1ALDH1A1GAAIRAK4
SCHEMBL3662959 0.76 ALDH1A1 (0.43) MEN1KMT2AALDH1A1GAACYP1A2
SCHEMBL14039425 0.75 USP2 (0.46) RXRARXRBRXRGCSNK2A1MEN1
SCHEMBL13019327 0.75 CA1 (0.40) RXRARXRBRXRGCSNK2A1MEN1
SCHEMBL25460554 0.74 RXRA (0.35) RXRARXRBRXRGRORCPTGDR2
SCHEMBL7803086 0.74 KCNH2 (0.41) RXRARXRBRXRGCSNK2A1MEN1
SCHEMBL8515160 0.74 PTGDR2 (0.51) RXRARXRBRXRGPTGDR2CSNK2A1
SCHEMBL19533099 0.74 MAPK1 (0.47) RORCCSNK2A1MEN1KMT2ATDP1
SCHEMBL9350213 0.73 ALDH1A3 (0.49) RXRARXRBRXRGTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0552282-B1 BI-AROMATIC COMPOUNDS AND THEIR USE IN HUMAN AND VETERINARY MEDECINE AND IN COSMETIC PREPARATIONS CIRD GALDERMA (FR) 1994-08-24 EP disclosed
EP-0552282-A1 BI-AROMATIC COMPOUNDS AND THEIR USE IN HUMAN AND VETERINARY MEDECINE AND IN COSMETIC PREPARATIONS. CIRD GALDERMA (FR) 1993-07-28 EP disclosed
WO-1992006948-A1 BI-AROMATIC COMPOUNDS AND THEIR USE IN HUMAN AND VETERINARY MEDECINE AND IN COSMETIC PREPARATIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-04-30 WO disclosed