SCHEMBL11770652

SCHEMBL11770652

C#CC1=C(C)C(=Cc2ccc(Cl)cc2)c2ccc(OCC)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.53
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
MAOB P27338 1/20 0.37
MAPT P10636 2/20 0.36
PTK2B Q14289 1/20 0.36
ATM Q13315 1/20 0.35
TACR2 P21452 1/20 0.34
PSEN1 P49768 4/20 0.34
PSEN2 P49810 4/20 0.34
APH1B Q8WW43 4/20 0.34
NCSTN Q92542 4/20 0.34
APH1A Q96BI3 4/20 0.34
PSENEN Q9NZ42 4/20 0.34
KCNH2 Q12809 2/20 0.34
FLT3 P36888 1/20 0.34

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
SCHEMBL11758193 0.91 RXRA (0.44) RXRAKMT2AMEN1PSEN1PSEN2
SCHEMBL11763684 0.87 LCK (0.38) RXRAKMT2AMEN1MAOBMAPT
SCHEMBL11765128 0.84 PPARG (0.37) RXRAMAOBMAPTPSEN1PSEN2
SCHEMBL11763558 0.82 PPARG (0.35) RXRAKMT2AMEN1MAPTATM
SCHEMBL11765291 0.81 MAPT (0.39) RXRACSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL11760500 0.79 AMY1A (0.38) RXRAKMT2AMEN1MAOBMAPT
SCHEMBL11763022 0.79 LCK (0.36) RXRACSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL11763889 0.79 PPARG (0.50) RXRAKMT2AMEN1MAPTPSEN1
SCHEMBL11764175 0.79 ALDH1A1 (0.38) RXRAKMT2AMEN1MAOBMAPT
SCHEMBL11765965 0.79 PPARG (0.33) RXRAMAPTPSEN1PSEN2APH1B

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