SCHEMBL8726708

SCHEMBL8726708

CCCCOc1cc(-c2ccccc2)ccc1C(=O)Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.51
RARB P10826 4/20 0.48
RARA P10276 1/20 0.48
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
ADRB1 P08588 3/20 0.47
ADRB3 P13945 3/20 0.47
MCL1 Q07820 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
MAPT P10636 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL12121775 0.88 PTPN11 (0.60) PTPN11RARBRARAPTPN1PTPN6
SCHEMBL28435821 0.87 LMNA (0.57) PTPN11CNR1CNR2MEN1NR1I2
SCHEMBL5827955 0.82 LMNA (0.62) PTPN11CNR1CNR2MEN1NR1I2
SCHEMBL27288709 0.81 PTPN11 (0.74) PTPN11RARBRARAPTPN1PTPN6
SCHEMBL13332125 0.80 THRA (0.50) PTPN11MEN1MAPTKMT2AKDM4E
SCHEMBL29111485 0.79 ESR1 (0.51) PTPN11MEN1LMNAMAPTKMT2A
SCHEMBL12121604 0.78 ACLY (0.54) PTPN11RARBRARAPTPN1ADRB1
SCHEMBL5222184 0.78 HDAC3 (0.53) CNR1CNR2LMNA
SCHEMBL7366543 0.77 LMNA (0.69) PTPN11CNR1CNR2MEN1NR1I2
SCHEMBL14373016 0.77 CNR2 (0.67) CNR1CNR2MEN1NR1I2LMNA

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-5817826-A INHIBIT FORMATION OF PROSTAGLANDINS, LEUKOTRIENES; ANTIINFLAMMATION AGENTS SHIONOGI & CO., LTD. (JP) 1998-10-06 US disclosed
EP-0675114-A1 OXAZOLINONE DERIVATIVE HAVING INTRACELLULAR PHOSPHOLIPASE A 2? INHIBITOR ACTIVITY SHIONOGI & CO., LTD. (JP) 1995-10-04 EP disclosed