SCHEMBL22032632

SCHEMBL22032632

CC(C)(C)[Si](Oc1ccccc1C=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 7/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SRC P12931 2/20 0.40
MEN1 O00255 2/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TLR2 O60603 1/20 0.37
ERN1 O75460 1/20 0.37
TLR1 Q15399 1/20 0.37

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
SCHEMBL20766755 0.81 ALDH1A1 (0.37) LMNAKMT2AGAAALDH1A1HPGD
SCHEMBL31035638 0.79 HTR6 (0.36) LMNAGAAALDH1A1SRCTLR2
SCHEMBL29722800 0.78 ALDH1A1 (0.48) LMNAKMT2AGAAALDH1A1HPGD
SCHEMBL1201100 0.78 ALDH1A1 (0.48) LMNAKMT2AGAAALDH1A1HPGD
SCHEMBL7149802 0.75 CA12 (0.32) LMNAKMT2AGAA
SCHEMBL7698624 0.75 TSHR (0.44) LMNAGAAALDH1A1HPGDTDP1
SCHEMBL3548569 0.74 ALDH1A1 (0.43) LMNAKMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL875044 0.74 BACE1 (0.39) LMNAKMT2AGAAALDH1A1HPGD
SCHEMBL4522331 0.74 ALDH1A1 (0.40) KMT2AALDH1A1HTTSMN1; SMN2CYP2C9
SCHEMBL7220710 0.74 PRKDC (0.33) LMNAKMT2AGAAALDH1A1CYP1A2

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
WO-2020117832-A1 SMALL MOLECULE INHIBITORS OF THE BFRB:BFD INTERACTION UNIVERSITY OF KANSAS (US) 2020-06-11 WO disclosed