SCHEMBL29010038

SCHEMBL29010038

O=C(O)CCCc1cccc(CCF)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.63
HDAC3 O15379 2/20 0.63
HDAC4 P56524 2/20 0.63
HDAC1 Q13547 2/20 0.63
HDAC7 Q8WUI4 2/20 0.63
HDAC2 Q92769 2/20 0.63
HDAC10 Q969S8 2/20 0.63
HDAC11 Q96DB2 2/20 0.63
HDAC8 Q9BY41 2/20 0.63
HDAC6 Q9UBN7 2/20 0.63
HDAC9 Q9UKV0 2/20 0.63
HDAC5 Q9UQL6 2/20 0.63
MAPK1 P28482 1/20 0.63
ADRA1A P35348 1/20 0.63
SLC6A3 Q01959 1/20 0.63
CYP1A2 P05177 2/20 0.56
MAPT P10636 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL25342051 0.91 HDAC3 (0.76) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL30427751 0.89 SMN1; SMN2 (0.63) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL29009897 0.89 SMN1; SMN2 (0.63) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1666941 0.86 SMN1; SMN2 (0.63) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL29010085 0.85 SMN1; SMN2 (0.67) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL27491907 0.84 SMN1; SMN2 (0.61) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL27712159 0.84 SMN1; SMN2 (0.66) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL27780871 0.84 SMN1; SMN2 (0.66) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1197247 0.83 MAPT (0.78) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL315728 0.82 SLC6A3 (0.63) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7

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-116209433-A Small molecule albumin binding agents 俄勒冈健康科学大学 2023-06-02 CN disclosed