Naphthalene

Naphthalene

SCHEMBL1132213

O=C(O)Oc1cccc2c(OC(=O)O)cccc12.c1ccc2ccccc2c1

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ GAA P10253 4/20 0.55
▸ PGR P06401 1/20 0.55
▸ PTGS1 P23219 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ ESR1 P03372 2/20 0.53
▸ ESR2 Q92731 2/20 0.53
▸ JAK2 O60674 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.52
▸ HPGD P15428 1/20 0.52

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
SCHEMBL399266 0.94 ALDH1A1 (0.62) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL2834876 0.93 ESR1 (0.53) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL27548333 0.92 ALDH1A1 (0.61) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL27317154 0.92 ALDH1A1 (0.61) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL27807134 0.91 HSD17B10 (0.51) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL2638148 0.89 ESR1 (0.48) HSD17B10ALDH1A1GAAPGRPTGS1
Biphenyl SCHEMBL8212316 0.88 ALDH1A1 (0.57) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL11297972 0.85 ALDH1A1 (0.50) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL8075767 0.84 ALDH1A1 (0.49) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL10458543 0.83 ESR1 (0.69) HSD17B10ALDH1A1GAAKMT2AMEN1

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
EP-1578866-B1 THERMOPLASTIC ELASTOMER RESIN SAMYANG CORP (KR) 2011-02-16 — — EP claimed
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