SCHEMBL8092798

SCHEMBL8092798

CCC(=O)NC1=C(c2ccccc2CC)c2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
RAB9A P51151 3/20 0.57
GAA P10253 2/20 0.57
NPC1 O15118 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP2 O95551 1/20 0.50
PAX8 Q06710 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
TLR9 Q9NR96 1/20 0.50
HSP90AA1 P07900 7/20 0.47
HSP90AB1 P08238 7/20 0.47

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
SCHEMBL8106589 0.88 TDP2 (0.66) MAPTRAB9AGAANPC1ALDH1A1
SCHEMBL8665166 0.86 HSP90AA1 (0.48) MAPTRAB9AGAANPC1ALDH1A1
SCHEMBL8108755 0.86 HSP90AA1 (0.63) MAPTRAB9AGAANPC1ALDH1A1
SCHEMBL8108751 0.86 TDP2 (0.56) MAPTRAB9AGAANPC1ALDH1A1
SCHEMBL8100343 0.85 HSP90AA1 (0.61) MAPTRAB9AGAANPC1ALDH1A1
SCHEMBL8665999 0.83 MAPT (0.52) MAPTRAB9AGAANPC1ALDH1A1
SCHEMBL8108449 0.83 MAPT (0.65) MAPTRAB9AGAANPC1ALDH1A1
SCHEMBL8671274 0.81 MAPT (0.59) MAPTRAB9AGAANPC1ALDH1A1
SCHEMBL8108611 0.80 MAPT (0.61) MAPTRAB9AGAANPC1ALDH1A1
SCHEMBL7957003 0.78 HKDC1 (0.78) MAPTRAB9AGAANPC1ALDH1A1

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