SCHEMBL8944830

SCHEMBL8944830

O=C1c2ccccc2C(=O)N1CCCC(CCCN1C(=O)c2ccccc2C1=O)(C(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 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
SCHEMBL8837648 0.87 MEN1 (0.45) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL8887803 0.86 ALDH1A1 (0.48) SMN1; SMN2TDP1MAPTRAB9ACYP1A2
SCHEMBL4889359 0.84 MMP2 (0.51) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL30881314 0.84 SMN1; SMN2 (0.50) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL5545146 0.83 POLB (0.42) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL6578349 0.82 TDP1 (0.46) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL8531541 0.81 POLB (0.56) SMN1; SMN2MAPTRAB9AHDAC8HDAC3
SCHEMBL7104225 0.79 POLB (0.46) SMN1; SMN2TDP1L3MBTL1MAPTRAB9A
SCHEMBL9226627 0.79 MEN1 (0.46) SMN1; SMN2MAPTRAB9ACYP1A2CYP2C19
SCHEMBL9349967 0.78 TDP1 (0.55) SMN1; SMN2TDP1L3MBTL1CYP1A2CYP2C19

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
US-5519142-A Homobidental, trifunctional linkers, method for their preparation and use in immunologically active conjugates BOEHRINGER MANNHEIM GMBH (DE) 1996-05-21 US disclosed