SCHEMBL9617862

SCHEMBL9617862

CC(C)(C)c1ccccc1[I+]c1ccccc1C(C)(C)C.O=S(=O)([O-])CF

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.36
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DRD1 P21728 1/20 0.32
PTGS2 P35354 3/20 0.32
RBP4 P02753 1/20 0.31
HTR1A P08908 2/20 0.31
HTR7 P34969 2/20 0.31
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
RORC P51449 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
CYP2C19 P33261 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ESR1 P03372 1/20 0.30

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
SCHEMBL7908278 0.86 ALDH1A1 (0.38) HSD11B1ALDH1A1TSHRTDP1PTGS2
Sulfuric Acid SCHEMBL8628602 0.86 ALDH1A1 (0.38) HSD11B1ALDH1A1TSHRTDP1PTGS2
Trifluoromethanesulfonic Acid SCHEMBL59634 0.85 HSD11B1 (0.43) HSD11B1ALDH1A1TSHRTDP1MEN1
Trifluoromethanesulfonic Acid SCHEMBL29851847 0.85 HSD11B1 (0.43) HSD11B1ALDH1A1TSHRTDP1MEN1
Sulfuric Acid SCHEMBL8628604 0.84 TDP1 (0.41) HSD11B1ALDH1A1TSHRTDP1PTGS2
Phenylmethanesulfonic Acid SCHEMBL5851155 0.83 CA1 (0.37) ALDH1A1TSHRCA2CA9CYP2C19
SCHEMBL3922219 0.81 PTGS2 (0.36) ALDH1A1TDP1PTGS2RBP4
SCHEMBL2634677 0.80 HSD11B1 (0.36) HSD11B1ALDH1A1TSHRTDP1PTGS2
SCHEMBL31582661 0.80 HSD11B1 (0.36) HSD11B1ALDH1A1TSHRTDP1PTGS2
SCHEMBL216497 0.80 ALDH1A1 (0.48) ALDH1A1TSHRTDP1RBP4CA2

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
JP-4269756-A None JP disclosed
JP-4269757-A None JP disclosed
JP-H04269757-A FORMATION OF RESIST PATTERN NIPPON TELEGR & TELEPH CORP <NTT> 1992-09-25 JP disclosed
JP-H04269756-A RESIST FILM SUITABLE FOR LIFT-OFF WORKING NIPPON TELEGR & TELEPH CORP <NTT> 1992-09-25 JP disclosed