Naphthalene

Naphthalene

SCHEMBL16210557

O=P(O)(O)Oc1ccc(O)cc1.c1ccc2ccccc2c1

nearest known ligand 0.63

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.63
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
INPPL1 O15357 3/20 0.46
INPP5A Q14642 3/20 0.46
BLM P54132 1/20 0.46
CYP1A2 P05177 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
LTA4H P09960 1/20 0.43
NR1H2 P55055 1/20 0.43
BAX Q07812 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
DEGS1 O15121 1/20 0.41
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL131227 0.89 SRC (0.62) SRCCA1CA2INPPL1INPP5A
SCHEMBL28468891 0.87 SRC (0.60) SRCCA1CA2INPPL1INPP5A
SCHEMBL29167189 0.87 SRC (0.60) SRCCA1CA2INPPL1INPP5A
SCHEMBL28420405 0.87 SRC (0.60) SRCCA1CA2INPPL1INPP5A
Biphenyl SCHEMBL28533856 0.86 SRC (0.67) SRCCA1CA2INPPL1INPP5A
Phenyl Dihydrogen Phosphate SCHEMBL28144635 0.86 SRC (0.79) SRCCA1CA2INPPL1INPP5A
Naphthalene SCHEMBL5981635 0.85 SRC (0.46) SRCCA1CA2CYP1A2ESR1
Biphenyl SCHEMBL6429902 0.85 SRC (0.64) SRCCA1CA2INPPL1INPP5A
Phenyl Dihydrogen Phosphate SCHEMBL6248315 0.83 SRC (0.83) SRCCA1CA2INPPL1INPP5A
SCHEMBL2344043 0.82 GPR84 (0.63) SRCCA1CA2INPPL1INPP5A

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-20140329254-A1 BIOSENSOR USING REDOX CYCLING PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2014-11-06 US claimed
US-20140329254-A1 BIOSENSOR USING REDOX CYCLING PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2014-11-06 US disclosed