SCHEMBL8904571

SCHEMBL8904571

CCCCCCCCc1cc2c(cc1C=Cc1ccccc1C(=O)O)CCC(C)(C)CC2C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.35
CYSLTR1 Q9Y271 3/20 0.35
HPSE Q9Y251 2/20 0.33
PLK1 P53350 4/20 0.33
PPARA Q07869 2/20 0.32
PPARG P37231 1/20 0.32
RXRA P19793 1/20 0.32
TRPA1 O75762 1/20 0.32
TRPM2 O94759 1/20 0.32
PLA2G1B P04054 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
PLK3 Q9H4B4 3/20 0.32
RARB P10826 2/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
BID P55957 2/20 0.32
BCL2L1 Q07817 2/20 0.32
MCL1 Q07820 2/20 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
SCHEMBL7207886 0.86 RARB (0.41) RXRARARBRARARARG
SCHEMBL7207891 0.86 RARB (0.41) RXRARARBRARARARG
SCHEMBL8905607 0.78 RXRA (0.42) CYSLTR2CYSLTR1PLK1PPARAPPARG
SCHEMBL8906010 0.76 RXRA (0.49) CYSLTR2CYSLTR1PLK1RXRATRPA1
SCHEMBL8906153 0.74 RXRA (0.45) RXRA
SCHEMBL8905251 0.72 RXRA (0.53) RXRARARBRARARARG
SCHEMBL8910622 0.72 RXRA (0.43) RXRARARBRARARARG
SCHEMBL7207124 0.71 RARB (0.44) RXRARARBRARARARG
SCHEMBL7207116 0.71 RARB (0.44) RXRARARBRARARARG
SCHEMBL8905583 0.69 THRA (0.34) CYSLTR2CYSLTR1PPARAPPARGRXRA

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-5700836-A TOPICALLY ADMINISTERING TO TREAT PHOTODAMAGED SKIN HOFFMANN-LA ROCHE INC. (US) 1997-12-23 US disclosed