SCHEMBL7907413

SCHEMBL7907413

Cc1ccc(C(=O)NCCCCCC(=O)ON2C(=O)CC(S(=O)(=O)O)C2=O)c(Sc2ncccc2C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL9136872 0.94 HDAC3 (0.33) NPC1RAB9AHDAC3HDAC1HPGD
SCHEMBL4396451 0.79 ALDH1A1 (0.33) NPC1HDAC3HDAC1SMN1; SMN2ALDH1A1
SCHEMBL8741061 0.78 SMN1; SMN2 (0.32) NPC1RAB9AHDAC3HDAC1LMNA
SCHEMBL9136880 0.74 ALDH1A1 (0.34) NPC1HDAC3HDAC1LMNASMN1; SMN2
SCHEMBL5051008 0.74 ALDH1A1 (0.34) HDAC3HDAC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL346020 0.73 ALDH1A1 (0.33) HDAC3HDAC1SMN1; SMN2ALDH1A1DRD2
SCHEMBL30031578 0.73 ALDH1A1 (0.33) HDAC3HDAC1SMN1; SMN2ALDH1A1DRD2
SCHEMBL900949 0.71 SMN1; SMN2 (0.36) NPC1RAB9AHDAC3LMNASMN1; SMN2
SCHEMBL2283058 0.71 HPGD (0.46) NPC1RAB9ALMNAHPGDSMN1; SMN2
SCHEMBL8741120 0.71 NPC1 (0.43) NPC1RAB9AHDAC3HDAC1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073421-A1 STABILIZED PROTEIN CRYSTALS, FORMULATIONS CONTAINING THEM AND METHODS OF MAKING THEM Altus Biologics Inc. (US) 2001-02-07 EP disclosed
WO-1999055310-A1 STABILIZED PROTEIN CRYSTALS, FORMULATIONS CONTAINING THEM AND METHODS OF MAKING THEM ALTUS BIOLOGICS INC. (US) 1999-11-04 WO disclosed