SCHEMBL7838821

SCHEMBL7838821

Cc1cc([N+](=O)[O-])ccc1C1(C)OC(=O)CC(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.49
▸ TDP1 Q9NUW8 3/20 0.49
▸ TSHR P16473 3/20 0.49
▸ CYP3A4 P08684 3/20 0.46
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ CRHBP P24387 2/20 0.43
▸ CRHR2 Q13324 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TDP2 O95551 1/20 0.41
▸ MALT1 Q9UDY8 1/20 0.40
▸ AKR1B1 P15121 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ ACHE P22303 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PTPRC P08575 1/20 0.37

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
SCHEMBL17064165 0.71 ALDH1A1 (0.43) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL6612111 0.69 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL12643954 0.68 ALDH1A1 (0.53) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL2062325 0.68 TDP2 (0.44) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL384312 0.67 ALDH1A1 (1.00) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL29511002 0.67 ALDH1A1 (1.00) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL30683694 0.66 ALDH1A1 (0.72) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL21962048 0.66 ALDH1A1 (0.53) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL31448378 0.66 ALDH1A1 (0.53) ALDH1A1TDP1TSHRCYP3A4LMNA
SCHEMBL28240873 0.66 TDP2 (0.53) ALDH1A1TDP1TSHRCYP3A4MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121094-A1 UV PROTECTION COMPOSITIONS The Procter & Gamble Company (US) 2001-08-08 — — EP claimed
US-6224854-B1 UV protection compositions THE PROCTER & GAMBLE COMPANY 2001-05-01 — — US claimed
WO-2000023044-A1 UV PROTECTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-04-27 — — WO claimed
EP-1121094-A1 UV PROTECTION COMPOSITIONS The Procter & Gamble Company (US) 2001-08-08 — — EP disclosed
WO-2000023044-A1 UV PROTECTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-04-27 — — WO disclosed
Send feedback