SCHEMBL18736367

SCHEMBL18736367

CC(C)(C)[Si](C)(C)Oc1cc(O)cc(-c2cc(O)cc(C(=O)OCc3ccccc3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.46
NPC1 O15118 7/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 4/20 0.46
TDP1 Q9NUW8 5/20 0.46
KMT2A Q03164 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HPGD P15428 2/20 0.43
MAPT P10636 4/20 0.42
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL18736368 0.99 RAB9A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL30658879 0.99 RAB9A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL26334788 0.95 RAB9A (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL28362584 0.86 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL6652205 0.83 TDP1 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL18736538 0.81 TDP1 (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL22498785 0.80 RAB9A (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL18736532 0.79 TDP1 (0.45) RAB9ASMN1; SMN2ALDH1A1LMNATDP1
SCHEMBL18736257 0.79 TDP1 (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL31354692 0.78 LMNA (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017060728-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF AVVINITY THERAPEUTICS LIMITED (GB) 2017-04-13 WO disclosed
WO-2017060729-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CENTAURI THERAPEUTICS LIMITED (GB) 2017-04-13 WO disclosed