SCHEMBL8555571

SCHEMBL8555571

[CH](CC1CO1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 2/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP2A6 P11509 1/20 0.37
MGLL Q99685 1/20 0.36
GLA P06280 1/20 0.36
CHRM2 P08172 4/20 0.36
CHRM4 P08173 4/20 0.36
CHRM1 P11229 4/20 0.36
CHRM3 P20309 4/20 0.36
CHRM5 P08912 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
DHFR P00374 1/20 0.34

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
SCHEMBL436302 0.79 ALDH1A1 (0.46) TDP1ALDH1A1MGLLMEN1KMT2A
SCHEMBL11570605 0.79 ALDH1A1 (0.52) TDP1TSHRALDH1A1MEN1KMT2A
SCHEMBL4575590 0.74 MAOB (0.48) TDP1ALDH1A1MGLLCHRM2CHRM4
SCHEMBL498414 0.73 ALDH1A1 (0.40) TSHRALDH1A1CYP2A6
SCHEMBL5162421 0.72 TDP1 (0.47) TDP1TSHRALDH1A1MGLLGLA
Benzaldehyde SCHEMBL28783678 0.71 ALDH1A1 (0.50) TDP1TSHRALDH1A1CYP2A6MGLL
SCHEMBL4244383 0.71 MAOB (0.43) TDP1TSHRALDH1A1MGLLGLA
SCHEMBL497968 0.70 KDM4E (0.42) ALDH1A1CYP2A6SMN1; SMN2
SCHEMBL2658304 0.70 ALDH1A1 (0.42) ALDH1A1CYP2A6
SCHEMBL2592589 0.69 ALDH1A1 (0.50) TDP1ALDH1A1MGLLGLAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113087886-A Enzymatic degradation characterization method of biodegradable polyester 苏州楷儒新材料科技有限公司 2021-07-09 CN claimed
CN-113087886-A Enzymatic degradation characterization method of biodegradable polyester 苏州楷儒新材料科技有限公司 2021-07-09 CN disclosed
EP-0869953-A1 NUCLEOSIDE DERIVATIVES AND PROCESS FOR PREPARING THEREOF CHONG KUN DANG CORP (KR) 1998-10-14 EP disclosed
WO-1996012716-A1 NUCLEOSIDE DERIVATIVES AND PROCESS FOR PREPARING THEREOF CHONG KUN DANG CORP. (KR) 1996-05-02 WO disclosed