SCHEMBL7870688

SCHEMBL7870688

CC1(C)CCOc2ccc(C3CCCC3CO)cc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.41
RARG P13631 6/20 0.41
RARA P10276 5/20 0.41
CYP26A1 O43174 1/20 0.38
CYP26B1 Q9NR63 1/20 0.38
RXRA P19793 5/20 0.36
SSTR5 P35346 2/20 0.34
HNF4A P41235 1/20 0.34
MAP3K14 Q99558 2/20 0.33
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
AKR1B1 P15121 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL7571998 0.85
SCHEMBL7567313 0.82 RXRA (0.50) RARBRARGRARACYP26A1CYP26B1
SCHEMBL7503006 0.79 RXRA (0.47) RARBRARGRARACYP26A1CYP26B1
SCHEMBL7571992 0.76 RARB (0.41) RARBRARGRARACYP26A1RXRA
SCHEMBL7573343 0.76 RARB (0.40) RARBRARGRARARXRAHDAC8
SCHEMBL6157408 0.73 PTGS1 (0.43) RARBRARGRARARXRAPTGS1
SCHEMBL6156126 0.73 PTGS1 (0.43) RARBRARGRARARXRAPTGS1
SCHEMBL8332049 0.72 RARA (0.41) RARBRARGRARACYP26A1CYP26B1
SCHEMBL8333554 0.72 RARA (0.41) RARBRARGRARACYP26A1CYP26B1
SCHEMBL9054043 0.71 RARA (0.44) RARBRARGRARACYP26A1CYP26B1

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-6313163-B1 ADMINISTERING 2,4-PENTADIENOIC ACID DERIVATIVE FOR THERAPY OF DISEASE OR CONDITION RESPONSIVE TO THERAPY BY RETINOIDS ALLERGEN SALES, INC. 2001-11-06 US disclosed