SCHEMBL5407848

SCHEMBL5407848

C(=C\c1ccc2ccccc2c1)\c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 1.00
ALDH1A1 P00352 2/20 0.66
GLA P06280 1/20 0.66
MAPT P10636 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
PTGS1 P23219 1/20 0.64
NQO2 P16083 2/20 0.60
PLG P00747 1/20 0.59
PLAU P00749 1/20 0.59
PLAT P00750 1/20 0.59
KLK1 P06870 1/20 0.59
KDM4E B2RXH2 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PDGFRB P09619 1/20 0.52
PDGFRA P16234 1/20 0.52
CYP1B1 Q16678 1/20 0.52
NFE2L2 Q16236 1/20 0.50

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
SCHEMBL5407847 1.00 RELA (1.00) RELAALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL3984479 1.00 RELA (1.00) RELAALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL30507765 1.00 RELA (1.00) RELAALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL11268864 0.95 RELA (0.91) RELAALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL11209385 0.95 RELA (0.91) RELAALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL5406013 0.93 RELA (0.87) RELAALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL5406016 0.93 RELA (0.87) RELAALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL5406009 0.93 RELA (0.87) RELAALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL9166699 0.93 RELA (0.86) RELAALDH1A1GLAMAPTSMN1; SMN2
SCHEMBL9166695 0.93 RELA (0.86) RELAALDH1A1GLAMAPTSMN1; SMN2

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-7211172-B1 Method of photochemical synthesis of vitamin Ds FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2007-05-01 US disclosed