SCHEMBL8108519

SCHEMBL8108519

CCC(=O)NC1=Cc2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ALDH1A1 P00352 5/20 0.51
RAB9A P51151 4/20 0.51
MEN1 O00255 2/20 0.51
NPC1 O15118 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 2/20 0.46
HDAC6 Q9UBN7 2/20 0.42
TDP2 O95551 2/20 0.42
PAX8 Q06710 2/20 0.42
HKDC1 Q2TB90 2/20 0.42
G6PD P11413 1/20 0.42
HPGD P15428 3/20 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
SCHEMBL8102486 0.88 TDP2 (0.54) MAPTALDH1A1RAB9AMEN1NPC1
SCHEMBL8108363 0.85 SOAT1 (0.47) ALDH1A1RAB9AMEN1NPC1KMT2A
SCHEMBL15690529 0.84 HDAC6 (0.60) MAPTALDH1A1RAB9AMEN1NPC1
SCHEMBL8102187 0.81 RAB9A (0.51) MAPTALDH1A1RAB9AMEN1NPC1
SCHEMBL8102460 0.77 CDC25A (0.47) MAPTALDH1A1RAB9AMEN1NPC1
SCHEMBL13741023 0.70 ALDH1A1 (0.44) MAPTALDH1A1RAB9AMEN1NPC1
SCHEMBL14141371 0.70 TDP2 (0.58) MAPTALDH1A1RAB9AMEN1NPC1
SCHEMBL17444748 0.70 PARP14 (0.63) MAPTALDH1A1RAB9AMEN1NPC1
SCHEMBL8108449 0.69 MAPT (0.65) MAPTALDH1A1RAB9AMEN1NPC1
SCHEMBL8108611 0.69 MAPT (0.61) MAPTALDH1A1RAB9AMEN1NPC1

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
US-6013674-A INDENONE AMIDE DERIVATIVES, USEFUL FOR FOR THE INHIBITION OF LEUKOCYTE ADHERENCE TO ENDOTHELIAL CELLS; USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES, AS ARTHRITIS, ASTHAMA, PSORIASIS, RESPIRATORY DISTRESS SYNDROME, STROKE AND ULCER ELI LILLY AND COMPANY (US) 2000-01-11 US disclosed
EP-0882706-A1 Cell adhesion inhibitors ELI LILLY AND COMPANY (US) 1998-12-09 EP disclosed