SCHEMBL3427326

SCHEMBL3427326

CCCCc1ccc(Nc2ccc(C=Cc3ccc(C=Cc4ccc(Nc5ccc(CCCC)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
SPHK1 Q9NYA1 2/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
POLB P06746 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
CASP3 P42574 1/20 0.44

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
SCHEMBL3369663 1.00 HPGD (0.50) HPGDSMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL3372631 1.00 HPGD (0.50) HPGDSMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL18417183 0.93 TRPV1 (0.47) HPGDSMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL48879 0.88 HPGD (0.58) HPGDSMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL14127779 0.88 HPGD (0.58) HPGDSMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL2494330 0.87 CYSLTR2 (0.49) ALDH1A1LMNASPHK1CYP3A4CYP2D6
SCHEMBL13322020 0.87 TRPM2 (0.47) ALDH1A1LMNASPHK1CYP3A4CYP2D6
SCHEMBL13321988 0.86 THRA (0.46) ALDH1A1LMNASPHK1CYP3A4CYP2D6
SCHEMBL3477945 0.82 RARB (0.55) HPGDSMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL5190113 0.82 RARB (0.55) HPGDSMN1; SMN2MAPTALDH1A1L3MBTL1

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
EP-2236488-A1 Materials, methods and uses for photochemical generation of acids and/or radical species The Arizona Board of Regents on behalf of the University of Arizona (US) 2010-10-06 EP disclosed
US-7459106-B2 Materials, methods, and uses for photochemical generation of acids and/or radical species THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-12-02 US disclosed
US-20050173683-A1 Materials, methods, and uses for photochemical generation of acids and/or radical species THE ARIZ BD OF REGENTS ON BEHALF OF THE UNIV OF AZ (US) 2005-08-11 US disclosed