SCHEMBL11765110

SCHEMBL11765110

CCOC1=C(C)C(=Cc2ccc(Cl)cc2)c2ccc(OC)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
PPARG P37231 1/20 0.38
ESR1 P03372 2/20 0.38
AHR P35869 1/20 0.38
LCK P06239 1/20 0.38
MAPT P10636 2/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
HTT P42858 1/20 0.37
FLT3 P36888 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
APAF1 O14727 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL8154649 0.78 RXRA (0.44) RXRAPPARGLCKMAPTMEN1
SCHEMBL8154646 0.78 RXRA (0.44) RXRAPPARGLCKMAPTMEN1
SCHEMBL8431908 0.77 LCK (0.38) RXRAAHRLCKMAPTHTT
SCHEMBL11770652 0.76 RXRA (0.53) RXRAPPARGMAPTCSNK2A2CSNK2B
SCHEMBL8430723 0.76 RXRA (0.43) RXRAPPARGLCKMAPTMEN1
SCHEMBL8154784 0.76 RXRA (0.64) RXRAPPARGMAPTPSEN1PSEN2
SCHEMBL8154789 0.76 RXRA (0.64) RXRAPPARGMAPTPSEN1PSEN2
SCHEMBL8154792 0.76 RXRA (0.64) RXRAPPARGMAPTPSEN1PSEN2
SCHEMBL30913437 0.74 RXRA (0.60) RXRAPPARGMAPTPSEN1PSEN2
SCHEMBL17119002 0.73 RXRA (0.63) RXRAPPARGLCKCSNK2A2CSNK2B

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
US-4061771-A Ethynylindenyl compounds and derivatives thereof used in the treatment of pain, fever and inflammation WILLIAM H. RORER, INC. (US) 1977-12-06 US disclosed
US-3983253-A Ethynylindenyl compounds and derivatives thereof used in the treatment of pain, fever and inflammation WILLIAM H. RORER, INC. (US) 1976-09-28 US disclosed