SCHEMBL28536701

SCHEMBL28536701

CC(C)(C)OC(=O)N1CCN(CCCCCCCO)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACKR3 P25106 2/20 0.45
TLR8 Q9NR97 1/20 0.45
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM4 P08173 1/20 0.44
CHRM3 P20309 1/20 0.44
EPHX2 P34913 5/20 0.43
KMT5A Q9NQR1 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
ESRRB O95718 1/20 0.42
ESR1 P03372 1/20 0.42
ESRRA P11474 1/20 0.42
ESRRG P62508 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1715344 1.00 USP2 (0.46) USP2SMN1; SMN2ACKR3TLR8CHRM2
SCHEMBL25507301 1.00 USP2 (0.46) USP2SMN1; SMN2ACKR3TLR8CHRM2
SCHEMBL25507694 1.00 USP2 (0.46) USP2SMN1; SMN2ACKR3TLR8CHRM2
SCHEMBL12193455 0.98 USP2 (0.47) USP2SMN1; SMN2ACKR3TLR8CHRM2
SCHEMBL29215294 0.94 MEN1 (0.44) USP2SMN1; SMN2ACKR3TLR8CHRM2
SCHEMBL214593 0.94 USP2 (0.49) USP2SMN1; SMN2ACKR3TLR8CHRM2
SCHEMBL8253901 0.94 USP2 (0.51) USP2SMN1; SMN2ACKR3TLR8CHRM2
SCHEMBL20873847 0.89 USP2 (0.53) USP2SMN1; SMN2ACKR3TLR8CHRM2
SCHEMBL27317678 0.88 MEN1 (0.46) USP2SMN1; SMN2ACKR3TLR8CHRM2
SCHEMBL29129466 0.88 TLR8 (0.53) USP2SMN1; SMN2ACKR3TLR8CHRM2

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
CN-112574216-B Compound, preparation method thereof and application thereof in preparing anti-cancer drugs 天津济坤医药科技有限公司 2022-03-08 CN disclosed
CN-112574216-A Compound, preparation method thereof and application thereof in preparing anti-cancer drugs 天津济坤医药科技有限公司 2021-03-30 CN disclosed