SCHEMBL8092785

SCHEMBL8092785

CCCCCCC1=C(NC=O)C(=O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
SOAT1 P35610 8/20 0.39
ALDH1A1 P00352 3/20 0.38
APAF1 O14727 1/20 0.38
MITF O75030 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GPR84 Q9NQS5 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
ELANE P08246 1/20 0.38
CTSG P08311 1/20 0.38

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
SCHEMBL8102608 0.99 PTPN1 (0.46) PTPN1NR1H2NR1H3SOAT1ALDH1A1
SCHEMBL8102117 0.94 ALDH1A1 (0.40) PTPN1SOAT1ALDH1A1APAF1MITF
SCHEMBL8092901 0.88 ALDH1A1 (0.45) PTPN1ALDH1A1APAF1MITFNPC1
SCHEMBL8092964 0.86 MAPT (0.46) PTPN1ALDH1A1APAF1MITFNPC1
SCHEMBL8100473 0.83 DHODH (0.42) ALDH1A1APAF1MITFNPC1RAB9A
SCHEMBL8100744 0.82 MAPT (0.51) ALDH1A1APAF1MITFNPC1GAA
SCHEMBL8106476 0.82 FGFR1 (0.46) ALDH1A1APAF1MITFNPC1GAA
SCHEMBL8102167 0.79 DHODH (0.51) ALDH1A1APAF1MITFNPC1GAA
SCHEMBL8092958 0.79 HSP90AA1 (0.52) PTPN1ALDH1A1NPC1GAARAB9A
SCHEMBL8100694 0.78 RAB9A (0.52) PTPN1SOAT1ALDH1A1APAF1NPC1

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