SCHEMBL11745992

SCHEMBL11745992

CCc1ccc([Si](C)(C)c2ccc(C(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
HPGD P15428 6/20 0.52
HTT P42858 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 3/20 0.46
PTGS2 P35354 1/20 0.46
SRD5A2 P31213 1/20 0.46
GAA P10253 1/20 0.46
ELANE P08246 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ATM Q13315 1/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.43
PLK1 P53350 1/20 0.43
CYP19A1 P11511 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43

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
SCHEMBL11745986 0.97 ALDH1A1 (0.52) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL975055 0.88 ALDH1A1 (0.65) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL11746266 0.86 BCL2 (0.46) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL11746261 0.86 L3MBTL1 (0.47) ALDH1A1HPGDPTGS2SRD5A2L3MBTL1
Ammonia Solution, Strong SCHEMBL8465674 0.86 ALDH1A1 (0.63) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL9152634 0.82 MAPT (0.60) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL11748125 0.82 SMN1; SMN2 (0.54) ALDH1A1HTTSMN1; SMN2MAPTSRD5A2
Benzophenone SCHEMBL28116793 0.82 ALDH1A1 (0.64) ALDH1A1HPGDRAB9APTGS2SRD5A2
SCHEMBL11751338 0.81 ALDH1A1 (0.59) ALDH1A1HPGDSMN1; SMN2RAB9APTGS2
SCHEMBL2935942 0.80 ALDH1A1 (0.70) ALDH1A1HPGDHTTSMN1; SMN2MAPT

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-4042613-A PHOTOSENSITIZERS, POLYMERS DAI NIPPON PRINTING CO., LTD. (JA) 1977-08-16 US disclosed