SCHEMBL10979880

SCHEMBL10979880

CCCCCCCCOC(=O)C(CCCCCCCCCC[N+](=O)[O-])=NO

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.42
NAAA Q02083 1/20 0.38
DGKA P23743 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ESR1 P03372 1/20 0.38
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX1 P07099 1/20 0.36
CES2 O00748 3/20 0.36
CES1 P23141 3/20 0.36
HTR2C P28335 1/20 0.35
FAAH O00519 2/20 0.35

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
SCHEMBL10977036 1.00 ALDH1A1 (0.49) ALDH1A1TSHRNAAADGKAAPOBEC3A
SCHEMBL10979520 1.00 ALDH1A1 (0.49) ALDH1A1TSHRNAAADGKAAPOBEC3A
SCHEMBL10979524 1.00 ALDH1A1 (0.49) ALDH1A1TSHRNAAADGKAAPOBEC3A
SCHEMBL10979878 1.00 ALDH1A1 (0.49) ALDH1A1TSHRNAAADGKAAPOBEC3A
SCHEMBL10977001 1.00 ALDH1A1 (0.49) ALDH1A1TSHRNAAADGKAAPOBEC3A
SCHEMBL10976643 0.87 TSHR (0.53) ALDH1A1TSHRNAAADGKAAPOBEC3A
SCHEMBL10976645 0.87 TSHR (0.53) ALDH1A1TSHRNAAADGKAAPOBEC3A
SCHEMBL10985698 0.87 TSHR (0.53) ALDH1A1TSHRNAAADGKAAPOBEC3A
SCHEMBL10983579 0.87 TSHR (0.53) ALDH1A1TSHRNAAADGKAAPOBEC3A
SCHEMBL11747389 0.85 ALDH1A1 (0.47) ALDH1A1TSHRNAAADGKAPRSS1

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-4507142-A Alpha-oximino alkanoic acid containing foliar fertilizers to increase yield of crop plants ARCADIAN CORPORATION, INC. (US) 1985-03-26 US disclosed
US-4017301-A NITRO-OXIMINOALKANOIC ACIDS AND DERIVATIVES ALLIED CHEMICAL CORPORATION (US) 1977-04-12 US disclosed