SCHEMBL9822792

SCHEMBL9822792

Cc1ccc(Cl)c([N+](=O)[O-])c1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 3/20 0.40
MCL1 Q07820 1/20 0.37
TSHR P16473 6/20 0.37
VCAM1 P19320 5/20 0.36
CYP3A4 P08684 1/20 0.36
IDH1 O75874 1/20 0.35
PPIA P62937 1/20 0.35
NHERF1 O14745 1/20 0.35
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL11802146 0.81 TSHR (0.49) ALDH1A1TDP1TSHRCYP3A4HSD17B10
SCHEMBL11439521 0.81 VCAM1 (0.40) ALDH1A1TDP1TSHRVCAM1CYP3A4
SCHEMBL10393914 0.80 TSHR (0.46) ALDH1A1TDP1TSHRCYP3A4HSD17B10
Hydrochloric Acid SCHEMBL11755802 0.80 TSHR (0.47) ALDH1A1TDP1TSHRCYP3A4HSD17B10
SCHEMBL10700814 0.79 VCAM1 (0.39) ALDH1A1TDP1TSHRVCAM1HSD17B10
SCHEMBL7784706 0.76 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCYP3A4HSD17B10
SCHEMBL28131476 0.76 ALDH1A1 (0.42) ALDH1A1TDP1MCL1TSHRVCAM1
SCHEMBL2314823 0.75 TSHR (0.49) ALDH1A1TDP1TSHRCYP3A4HSD17B10
SCHEMBL10420952 0.74 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCYP3A4HSD17B10
SCHEMBL9822601 0.74 ALDH1A1 (0.36) ALDH1A1TDP1TSHRCYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0291588-B1 SIZING AGENT KABUSHIKI KAISHA CHIYODA KAGAKU KENKYUSHO (JP) 1991-09-04 EP disclosed
US-4826570-A PARTIAL ESTER OF ALKENYL SUCCINIC ACID, PAPERMAKING KABUSHIKI KAISHA CHIYODA KAGAKU KENKYUSHO (JP) 1989-05-02 US disclosed
EP-0291588-A1 Sizing agent KABUSHIKI KAISHA CHIYODA KAGAKU KENKYUSHO (JP) 1988-11-23 EP disclosed
EP-0224976-A1 Method of sizing paper KABUSHIKI KAISHA CHIYODA KAGAKU KENKYUSHO (JP) 1987-06-10 EP disclosed