SCHEMBL8102537

SCHEMBL8102537

C=CCCC1=C(NC=O)C(=O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.44
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 6/20 0.44
HTT P42858 5/20 0.44
MITF O75030 4/20 0.44
CASP3 P42574 2/20 0.44
NSD2 O96028 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
PTPRC P08575 2/20 0.35
MAPT P10636 6/20 0.34
POLB P06746 3/20 0.34
USP2 O75604 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSP90AA1 P07900 1/20 0.34
G6PD P11413 1/20 0.34
CCR6 P51684 1/20 0.34
HKDC1 Q2TB90 1/20 0.34

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
SCHEMBL8092901 0.83 ALDH1A1 (0.45) LMNAALDH1A1KMT2AHTTMITF
SCHEMBL8102167 0.80 DHODH (0.51) LMNAALDH1A1KMT2AHTTMITF
SCHEMBL8100744 0.80 MAPT (0.51) LMNAALDH1A1KMT2AHTTMITF
SCHEMBL8102117 0.80 ALDH1A1 (0.40) LMNAALDH1A1KMT2AHTTMITF
SCHEMBL8092821 0.80 HSP90AA1 (0.52) LMNAALDH1A1KMT2AHTTMITF
SCHEMBL8102608 0.79 PTPN1 (0.46) LMNAALDH1A1KMT2AHTTMITF
SCHEMBL8106476 0.79 FGFR1 (0.46) LMNAALDH1A1KMT2AHTTMITF
SCHEMBL8100473 0.78 DHODH (0.42) LMNAALDH1A1KMT2AHTTMITF
SCHEMBL8092964 0.78 MAPT (0.46) LMNAALDH1A1KMT2AHTTMITF
SCHEMBL8092785 0.78 PTPN1 (0.48) LMNAALDH1A1HTTMITFL3MBTL1

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