SCHEMBL29008229

SCHEMBL29008229

O=C(O)CCOB(O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
KEAP1 Q14145 1/20 0.41
NR4A2 P43354 1/20 0.39
ALDH1A1 P00352 3/20 0.39
AKR1B1 P15121 1/20 0.39
FFAR1 O14842 5/20 0.38
MAPK1 P28482 2/20 0.38
HDAC3 O15379 1/20 0.38
ADRA1A P35348 1/20 0.38
HDAC4 P56524 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL3665656 0.82 ALDH1A1 (0.46) LMNAKEAP1ALDH1A1SMN1; SMN2CA7
SCHEMBL28390937 0.80 ALOX15 (0.47) LMNAALDH1A1AKR1B1FFAR1SMN1; SMN2
SCHEMBL117263 0.78 ALDH1A1 (0.45) ALDH1A1MAPK1CA4CA6CA5A
Benzene SCHEMBL10445518 0.78 ALDH1A1 (0.45) ALDH1A1MAPK1CA4CA6CA5A
SCHEMBL28493287 0.76 TRPV6 (0.41) ALDH1A1MAPK1SMN1; SMN2CA4CA6
SCHEMBL1275435 0.76 PCSK9 (0.47) LMNAALDH1A1MAPK1SLC6A3SMN1; SMN2
SCHEMBL25431949 0.76 ORAI1 (0.37) ALDH1A1MAPK1SMN1; SMN2CA4CA6
SCHEMBL29014483 0.74 CA1 (0.47) LMNAALDH1A1FFAR1MAPK1CA4
SCHEMBL1491911 0.74 PCSK9 (0.41) ALDH1A1MAPK1CA4CA6CA5A
SCHEMBL28088282 0.74 FFAR1 (0.42) LMNAKEAP1NR4A2FFAR1HDAC1

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-116209722-A Near infrared cyanine dyes and conjugates thereof 伯拉考成像股份公司 2023-06-02 CN disclosed