SCHEMBL11322285

SCHEMBL11322285

C(C=Cc1ccc2ccccc2c1)=Cc1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.83
MAOB P27338 1/20 0.61
ALDH1A1 P00352 3/20 0.56
GLA P06280 1/20 0.56
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PTGS1 P23219 1/20 0.55
NQO2 P16083 2/20 0.52
PLG P00747 1/20 0.51
PLAU P00749 1/20 0.51
PLAT P00750 1/20 0.51
KLK1 P06870 1/20 0.51
CNR2 P34972 2/20 0.50
CYP1B1 Q16678 1/20 0.49
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PPARG P37231 1/20 0.47
TRPA1 O75762 1/20 0.46
LMNA P02545 1/20 0.46
ALOX5 P09917 1/20 0.46

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
SCHEMBL11322281 1.00 RELA (0.83) RELAMAOBALDH1A1GLAMAPT
SCHEMBL11319283 0.93 RELA (0.71) RELAMAOBALDH1A1GLAMAPT
SCHEMBL11319280 0.93 RELA (0.71) RELAMAOBALDH1A1GLAMAPT
SCHEMBL3984479 0.91 RELA (1.00) RELAALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL5407847 0.91 RELA (1.00) RELAALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL5407848 0.91 RELA (1.00) RELAALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL30507765 0.91 RELA (1.00) RELAALDH1A1GLAMAPTSMN1; SMN2
Anthracene SCHEMBL7792267 0.86 MAOB (0.74) RELAMAOBALDH1A1MAPTCYP1B1
SCHEMBL11268864 0.86 RELA (0.91) RELAMAOBALDH1A1GLAMAPT
Anthracene SCHEMBL2035098 0.86 MAOB (0.74) RELAMAOBALDH1A1MAPTCYP1B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4250053-A WITH FLUORESCENT COMPOUND MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-02-10 US claimed
US-4250053-A WITH FLUORESCENT COMPOUND MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-02-10 US disclosed
US-4001130-A DETERGENTS, SUBSTITUTED BUTADIENES HOECHST AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed