SCHEMBL9101004

SCHEMBL9101004

Cc1ccc(S(=O)(=O)O)c(C2CCCCC2C2CCCCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
TP53 P04637 1/20 0.35
CASP1 P29466 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MCOLN3 Q8TDD5 2/20 0.35
TSHR P16473 4/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL16712213 0.87 NOS3 (0.45) EPHX2NOS3NOS1NOS2TP53
SCHEMBL658618 0.82 NOS3 (0.38) EPHX2NOS3NOS1NOS2TP53
SCHEMBL7100547 0.82 NOS3 (0.38) EPHX2NOS3NOS1NOS2TP53
SCHEMBL780172 0.81 NOS3 (0.38) EPHX2NOS3NOS1NOS2TP53
SCHEMBL9100947 0.80 PPIA (0.36) EPHX2NOS1TSHRLMNAKMT2A
SCHEMBL361128 0.80 PTGDR2 (0.49) EPHX2TP53CASP1PTGDR2SMN1; SMN2
SCHEMBL9100301 0.80 HSP90AA1 (0.47) EPHX2NOS3NOS1NOS2SMN1; SMN2
SCHEMBL8076430 0.79 NOS3 (0.41) EPHX2NOS3NOS1NOS2SMN1; SMN2
SCHEMBL5278348 0.78 PTGDR2 (0.47) EPHX2NOS3NOS1NOS2TP53
SCHEMBL2217850 0.77 PTGDR2 (0.46) EPHX2NOS3NOS1NOS2TP53

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-5489501-A MIXTURES OF TWO COORDINATION COMPOUNDS WHICH REACT TO FORM NEW COORDINATION COMPOUND WHILE CAUSING VISIBLE COLOR CHANGES RICOH COMPANY, LTD. (JP) 1996-02-06 US disclosed
US-5446011-A Imagewise coloring when heating; mixture of n-substituted indole, aromatic polyhydroxy compound, carbonyl compound and an acid RICOH COMPANY, LTD. (JP) 1995-08-29 US disclosed