SCHEMBL8102489

SCHEMBL8102489

CCC(=O)NC1=C(CCCCl)c2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
RAB9A P51151 5/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 6/20 0.50
NPSR1 Q6W5P4 3/20 0.50
CASP3 P42574 2/20 0.50
SENP8 Q96LD8 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
TDP2 O95551 1/20 0.49
PAX8 Q06710 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
TLR9 Q9NR96 1/20 0.49
NPC1 O15118 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL8667983 0.95 MAPT (0.50) MAPTRAB9AGAAALDH1A1NPSR1
SCHEMBL8093023 0.90 TDP2 (0.64) MAPTRAB9AGAAALDH1A1NPSR1
SCHEMBL8093137 0.89 MAPT (0.54) MAPTRAB9AGAAALDH1A1NPSR1
SCHEMBL8102847 0.88 RAB9A (0.53) MAPTRAB9AGAAALDH1A1NPSR1
SCHEMBL8100694 0.86 RAB9A (0.52) MAPTRAB9AGAAALDH1A1NPSR1
SCHEMBL8102471 0.86 HSP90AA1 (0.57) MAPTRAB9AGAAALDH1A1NPSR1
SCHEMBL8102702 0.86 MAPT (0.57) MAPTRAB9AGAAALDH1A1NPSR1
SCHEMBL8108502 0.85 MAPT (0.54) MAPTRAB9AGAAALDH1A1NPSR1
SCHEMBL8100807 0.85 TDP2 (0.61) MAPTRAB9AGAAALDH1A1NPSR1
SCHEMBL8100385 0.84 MAPT (0.50) MAPTRAB9AALDH1A1NPSR1CASP3

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