SCHEMBL7735523

SCHEMBL7735523

COc1ccc(-c2nc3cc(Cl)cc(Br)c3o2)cc1OC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.53
S1PR3 Q99500 1/20 0.53
PDE4A P27815 14/20 0.52
PDE4D Q08499 10/20 0.44
PDE4B Q07343 9/20 0.44
PDE4C Q08493 9/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CETP P11597 1/20 0.42
FPR2 P25090 1/20 0.42

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
SCHEMBL7734126 0.87 NPC1 (0.53) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL7737479 0.81 PDE4A (0.45) S1PR1S1PR3PDE4APDE4DPDE4B
SCHEMBL7733947 0.81 PDE4A (0.43) S1PR1S1PR3PDE4APDE4DPDE4B
SCHEMBL3615395 0.81 PDE4B (0.46) S1PR1S1PR3PDE4APDE4DPDE4B
SCHEMBL7403476 0.74 PDE4A (0.57) S1PR1S1PR3PDE4APDE4DPDE4B
SCHEMBL14176200 0.72 S1PR1 (0.71) S1PR1S1PR3PDE4APDE4DPDE4B
SCHEMBL8209414 0.72 PDE4A (0.67) PDE4APDE4DPDE4BPDE4CFPR2
SCHEMBL5823060 0.71 PDE4A (0.77) S1PR1S1PR3PDE4APDE4DPDE4B
SCHEMBL8478398 0.69 PDE4A (0.58) PDE4APDE4DPDE4BPDE4C
SCHEMBL8326223 0.69 PDE4B (0.44) PDE4APDE4DPDE4BPDE4C

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-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US claimed