SCHEMBL6935381

SCHEMBL6935381

Cn1cc(CCC(O)CO[Si](C)(C)C(C)(C)C)c2cc(OCc3ccccc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 3/20 0.46
HTR6 P50406 2/20 0.41
MCHR1 Q99705 1/20 0.40
LTB4R Q15722 2/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
ADRB2 P07550 1/20 0.38
AS3MT Q9HBK9 1/20 0.37
MAOB P27338 1/20 0.37
SRD5A2 P31213 1/20 0.37
EGFR P00533 1/20 0.37
IGF1R P08069 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
HTR3A P46098 1/20 0.37
PPARG P37231 1/20 0.36

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
SCHEMBL6935374 1.00 ADA (0.46) ADAHTR6MCHR1LTB4RLTB4R2
SCHEMBL6941459 0.83 ADA (0.52) ADAHTR6MCHR1LTB4RLTB4R2
SCHEMBL6941454 0.83 ADA (0.52) ADAHTR6MCHR1LTB4RLTB4R2
SCHEMBL6939460 0.82 HTR2A (0.46) MEN1KMT2A
SCHEMBL6939466 0.82 HTR2A (0.46) MEN1KMT2A
SCHEMBL6938182 0.82 ADA (0.69) ADAHTR6ABCG2
SCHEMBL7848478 0.81 TRPM8 (0.56) MEN1KMT2AMAPT
SCHEMBL7837654 0.79 HTR1D (0.46) MEN1KMT2APPARGMAPT
SCHEMBL6939242 0.78 BCL2 (0.46) ADAMEN1NPC1RAB9AKMT2A
SCHEMBL6939234 0.78 BCL2 (0.46) ADAMEN1NPC1RAB9AKMT2A

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-6596738-B1 Inhibiting activity to adenosine deaminase (hereinafter described as ADA) An adenosine deaminase inhibiting agent comprising a compound of the formula (I): FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US disclosed