SCHEMBL28577698

SCHEMBL28577698

C=CCC1C(O[Si](C)(C)C(C)(C)C)CCCN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPM1D O15297 1/20 0.33
DPP4 P27487 1/20 0.32
LMNA P02545 2/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RAB9A P51151 1/20 0.30
RIPK1 Q13546 1/20 0.30
ELANE P08246 1/20 0.30
CTSG P08311 1/20 0.30

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
SCHEMBL20471649 0.86 LMNA (0.36) PPM1DDPP4LMNACYP2C19HSD17B10
SCHEMBL25282754 0.82 PPM1D (0.34) PPM1DDPP4LMNACYP2C19HSD17B10
SCHEMBL17674517 0.82 PPM1D (0.34) PPM1DDPP4LMNACYP2C19HSD17B10
SCHEMBL20471654 0.81 PPM1D (0.34) PPM1DLMNACYP2C19HSD17B10RAB9A
SCHEMBL23227952 0.81 PPM1D (0.34) PPM1DLMNACYP2C19HSD17B10RAB9A
SCHEMBL23227860 0.81 PPM1D (0.34) PPM1DLMNACYP2C19HSD17B10RAB9A
SCHEMBL20471798 0.81 PPM1D (0.34) PPM1DLMNACYP2C19HSD17B10RAB9A
SCHEMBL18301451 0.81 PPM1D (0.33) PPM1DLMNACYP2C19HSD17B10RAB9A
SCHEMBL18663540 0.81 PPM1D (0.33) PPM1DLMNACYP2C19HSD17B10RAB9A
SCHEMBL23227731 0.80 PPM1D (0.33) PPM1DDPP4LMNACYP2C19HSD17B10

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
CN-107954923-B Preparation method of key chiral piperidine intermediate of dichroine and halofuginone 复旦大学 2021-07-02 CN disclosed