SCHEMBL7138376

SCHEMBL7138376

CC1(C)CCSc2ccc(C(=O)C3OO3)cc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.55
RARG P13631 13/20 0.55
RARA P10276 12/20 0.55
RXRA P19793 9/20 0.52
CYP26A1 O43174 3/20 0.47
CYP3A4 P08684 2/20 0.47
KMT2A Q03164 1/20 0.43
SSTR5 P35346 1/20 0.42
RXRB P28702 5/20 0.37
RXRG P48443 3/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CYP26B1 Q9NR63 2/20 0.35

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
SCHEMBL8101908 0.81 RARB (0.72) RARBRARGRARARXRACYP26A1
SCHEMBL3456673 0.81 RARB (0.64) RARBRARGRARARXRACYP26A1
SCHEMBL10284325 0.80 RARB (0.60) RARBRARGRARARXRACYP26A1
SCHEMBL10565430 0.77 RARB (0.70) RARBRARGRARARXRACYP26A1
SCHEMBL8907166 0.77 RARB (0.56) RARBRARGRARARXRACYP26A1
SCHEMBL27557342 0.76 RARB (0.61) RARBRARGRARARXRACYP26A1
SCHEMBL8109800 0.76 RARB (0.58) RARBRARGRARARXRACYP26A1
SCHEMBL27324962 0.74 RARB (0.66) RARBRARGRARARXRACYP26A1
SCHEMBL7414449 0.74 RARB (0.71) RARBRARGRARARXRACYP26A1
SCHEMBL9144369 0.73 RARB (0.55) RARBRARGRARARXRACYP26A1

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
EP-0907646-B1 DIHYDROBENZOPYRAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2003-05-21 EP disclosed
US-6110960-A FOR TREATING ARTHRITIS AND AS ANALGESIC THE PROCTER & GAMBLE COMPANY (US) 2000-08-29 US disclosed