SCHEMBL9101011

SCHEMBL9101011

O=S(=O)(O)c1ccc(CC2CCCCC2C2CCCCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 2/20 0.35
USP5 P45974 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
HSD11B1 P28845 1/20 0.34
PTGS1 P23219 6/20 0.33
PTGS2 P35354 6/20 0.33
MT-CO1 P00395 1/20 0.33
MT-CO2 P00403 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
SCHEMBL7100552 0.80 PTGS1 (0.51) LMNAPTGS1PTGS2MT-CO1MT-CO2
SCHEMBL658619 0.79 PTGS1 (0.38) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL780173 0.79 LMNA (0.36) MEN1KMT2AALDH1A1LMNAPTGS1
SCHEMBL656154 0.78 KMT2A (0.44) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL10794275 0.76 HSD11B1 (0.46) ALDH1A1HSD11B1
SCHEMBL8763564 0.76 MEN1 (0.46) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL15755799 0.73 F2 (0.44) ALDH1A1HSD11B1
SCHEMBL2944821 0.72 MEN1 (0.43) MEN1KMT2ALMNAHTT
SCHEMBL12453115 0.69 DAO (0.43) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL5070934 0.69 ALDH1A1 (0.43) MEN1KMT2AALDH1A1LMNAHTT

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