SCHEMBL8154031

SCHEMBL8154031

CCCCCOc1cc(C(=O)Cl)c(OCCCCC)cc1C(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.49
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
LMNA P02545 1/20 0.49
CHRM2 P08172 1/20 0.49
ADRA2A P08913 1/20 0.49
MAPT P10636 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
PTPN11 Q06124 3/20 0.46
S1PR3 Q99500 1/20 0.46
TP53 P04637 2/20 0.45
TSHR P16473 2/20 0.45
PLA2G2A P14555 1/20 0.45
PLA2G4B P0C869 1/20 0.44

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
SCHEMBL667572 0.98 MEN1 (0.51) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL10621050 0.98 MEN1 (0.51) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL8778447 0.98 MEN1 (0.51) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL20415949 0.91 CYP3A4 (0.43) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL11360893 0.84 PTPN11 (0.50) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL8167721 0.83 PTPN11 (0.61) PTPN11S1PR3TP53TSHRPLA2G2A
SCHEMBL8421089 0.82 PLK1 (0.50) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL20472214 0.82 MEN1 (0.51) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL20472402 0.82 PTPN11 (0.51) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL25258360 0.82 MEN1 (0.50) CYP3A4MEN1NR1I2LMNACHRM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5488093-A Stiff-chain polyesters and a method of preparing them DAINIPPON INK AND CHEMICALS, INC. (JP) 1996-01-30 US claimed
EP-0890615-B1 High temperature crosslinkable liquid crystalline polyester compositions DAINIPPON INK & CHEMICALS (JP) 2000-05-03 EP disclosed
EP-0890615-A1 High temperature crosslinkable liquid crystalline polyester compositions DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-01-13 EP disclosed
US-5488093-A Stiff-chain polyesters and a method of preparing them DAINIPPON INK AND CHEMICALS, INC. (JP) 1996-01-30 US disclosed