SCHEMBL28211981

SCHEMBL28211981

COC(=O)C(C)(CC[BiH2])c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.55
SRC P12931 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
CTRB1 P17538 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 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
SCHEMBL8410004 0.86 KCNN4 (0.55) KCNN4SRCCYP2C19HIF1AKMT2A
SCHEMBL3954199 0.86 KCNN4 (0.55) KCNN4SRCCYP2C19HIF1AKMT2A
SCHEMBL4961592 0.83 KCNN4 (0.51) KCNN4SRCCYP2C19HIF1AKMT2A
SCHEMBL10982127 0.82 KCNN4 (0.58) KCNN4SRCCYP2C19HIF1AKMT2A
SCHEMBL28784720 0.82 KCNN4 (0.58) KCNN4SRCCYP2C19HIF1AKMT2A
SCHEMBL4953286 0.82 KCNN4 (0.58) KCNN4SRCCYP2C19HIF1AKMT2A
SCHEMBL13903490 0.82 KCNN4 (0.50) KCNN4SRCCYP2C19HIF1AKMT2A
SCHEMBL4955211 0.81 KCNN4 (0.49) KCNN4CTRB1PRSS1CTSGCMA1
SCHEMBL17825617 0.81 KCNN4 (0.56) KCNN4SRCCYP2C19HIF1AKMT2A
SCHEMBL6368051 0.81 KCNN4 (0.56) KCNN4SRCCYP2C19HIF1AKMT2A

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-108137728-A Water-absorbent besin particles and its manufacturing method 三大雅株式会社 2018-06-08 CN disclosed