SCHEMBL9816604

SCHEMBL9816604

CCCCCCCCCCCCCCCCNC(C)S(=O)(=O)CCO

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
NAAA Q02083 1/20 0.40
PPARA Q07869 2/20 0.39
EPHX1 P07099 7/20 0.39
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
EPHX2 P34913 1/20 0.36
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 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
SCHEMBL9816670 1.00 CA2 (0.41) CA2CA1NAAAPPARAEPHX1
SCHEMBL9816621 1.00 CA2 (0.41) CA2CA1NAAAPPARAEPHX1
SCHEMBL9816508 1.00 CA2 (0.41) CA2CA1NAAAPPARAEPHX1
SCHEMBL9816524 1.00 CA2 (0.41) CA2CA1NAAAPPARAEPHX1
SCHEMBL9816367 0.98 TP53 (0.39) CA2CA1NAAAPPARAEPHX1
SCHEMBL9816579 0.93 CA2 (0.38) CA2CA1NAAATP53ALDH1A1
SCHEMBL9816602 0.85 CA1 (0.33) CA1
SCHEMBL5007363 0.80 CA2 (0.47) CA2CA1PPARAEPHX1TP53
SCHEMBL15774303 0.80 CA2 (0.47) CA2CA1PPARAEPHX1TP53
SCHEMBL7104113 0.80 CA2 (0.47) CA2CA1PPARAEPHX1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0174909-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1991-10-16 EP disclosed
EP-0141776-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1987-07-08 EP disclosed
EP-0174909-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1986-03-19 EP disclosed
EP-0076782-B1 REACTIVE DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1986-03-05 EP disclosed
EP-0076782-A2 Reactive dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1983-04-13 EP disclosed
EP-0074928-A2 Reactive dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1983-03-23 EP disclosed