SCHEMBL8158755

SCHEMBL8158755

Cc1cc(Oc2ccc(-c3ccccc3[N+](=O)[O-])c(C)c2)ccc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HSD11B1 P28845 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MGAM O43451 1/20 0.41
▸ SI P14410 1/20 0.41
▸ MGAM2 Q2M2H8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALPL P05186 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
SCHEMBL11303489 0.84 HSD17B10 (0.49) HSD17B10ALDH1A1TDP1NPC1RAB9A
SCHEMBL4667266 0.83 CA2 (0.47) HSD17B10ALDH1A1TDP1NPC1RAB9A
SCHEMBL31542121 0.82 MAOB (0.56) HSD17B10ALDH1A1TDP1NPC1RAB9A
SCHEMBL29351814 0.82 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL22530866 0.82 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL2360248 0.79 HSD17B10 (0.69) HSD17B10ALDH1A1TDP1MAOBGAA
SCHEMBL30564320 0.79 HSD17B10 (0.69) HSD17B10ALDH1A1TDP1MAOBGAA
SCHEMBL17727815 0.79 HSD11B1 (0.59) HSD17B10ALDH1A1TDP1NPC1RAB9A
SCHEMBL31903 0.79 HSD17B10 (0.50) HSD17B10ALDH1A1TDP1NPC1RAB9A
SCHEMBL8004928 0.79 HSPB1 (0.56) HSD17B10ALDH1A1TDP1NPC1RAB9A

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-0753255-B1 Pesticidal compositions comprising diarylalkanes NIPPON PETROCHEMICALS CO LTD (JP) 2000-12-20 — — EP disclosed
US-5866514-A HIGH BOILING; ODORLESS; ANTISEPTICS, HERBICIES, INSECTICIDES NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1999-02-02 — — US disclosed
EP-0753255-A2 Pesticidal compositions comprising diarylalkanes NIPPON PETROCHEMICALS CO., LTD. (JP) 1997-01-15 — — EP disclosed
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