SCHEMBL30128332

SCHEMBL30128332

COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c2cc[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 3/20 0.40
PIM1 P11309 2/20 0.40
NR4A2 P43354 5/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CREBBP Q92793 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
SCHEMBL20564551 1.00 PIM3 (0.40) PIM3PIM1NR4A2KDM4EALDH1A1
SCHEMBL31480350 0.90 PIM3 (0.43) PIM3PIM1NR4A2KDM4ECREBBP
SCHEMBL16336416 0.84 BTK (0.45) BTK
SCHEMBL24595249 0.79 LPL (0.33)
SCHEMBL4468388 0.79 BRD4 (0.41) NR4A2KDM4EALDH1A1LMNAHPGD
SCHEMBL21725879 0.78 PIM3 (0.37) PIM3PIM1BTKUCHL1
SCHEMBL21419077 0.78 PIM3 (0.40) PIM3PIM1NR4A2CA12CA1
SCHEMBL7497434 0.77 PIM3 (0.55) PIM3PIM1NR4A2KDM4EALDH1A1
SCHEMBL29901187 0.77 LIPE (0.32) CA1CA2CA9BTK
SCHEMBL15186918 0.77 EGFR (0.33) KDM4EHPGD

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-111032658-B 5-5 fused rings as C5a inhibitors 凯莫森特里克斯股份有限公司 2022-12-20 CN disclosed