SCHEMBL8178989

SCHEMBL8178989

CCC(C)CC(C)(C)C.O=S(=O)(c1ccccc1)C(Br)(Br)Br

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
HSD11B1 P28845 2/20 0.36
CCR5 P51681 1/20 0.35
ALDH1A1 P00352 4/20 0.34
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
CYP2C19 P33261 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR6 P50406 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL152444 0.76 HTR6 (0.52) PSIP1SMN1; SMN2HSD11B1ALDH1A1TDP1
Benzene SCHEMBL8203386 0.76 HTR6 (0.52) PSIP1SMN1; SMN2HSD11B1ALDH1A1TDP1
SCHEMBL4640457 0.76 HTR6 (0.52) PSIP1SMN1; SMN2HSD11B1ALDH1A1TDP1
Methane SCHEMBL29092261 0.74 HTR6 (0.50) PSIP1SMN1; SMN2HSD11B1ALDH1A1TDP1
SCHEMBL8178997 0.73 HSD11B1 (0.32) SMN1; SMN2HSD11B1ALDH1A1NPSR1
Methylene Chloride SCHEMBL9301312 0.73 ALDH1A1 (0.46) PSIP1SMN1; SMN2HSD11B1ALDH1A1NPC1
Silver SCHEMBL7967941 0.72 HTR6 (0.48) PSIP1SMN1; SMN2HSD11B1ALDH1A1TDP1
SCHEMBL8774149 0.71 LMNA (0.36) PSIP1SMN1; SMN2HSD11B1ALDH1A1CYP2C19
SCHEMBL6544675 0.70 HTR6 (0.50) PSIP1SMN1; SMN2HSD11B1ALDH1A1NPC1
SCHEMBL15503 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6060228-A BACKING LAYER CONTAINS A METHINE DYE HAVING SPECIFIC MAXIMUM ABSORPTION WAVELENGTH FUJI PHOTO FILM CO., LTD. (JP) 2000-05-09 US disclosed