SCHEMBL6715331

SCHEMBL6715331

CCCCCCCCCCCCOc1ccc(C)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.55
CNR2 P34972 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HTT P42858 1/20 0.55
CYP2C9 P11712 2/20 0.52
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
S1PR5 Q9H228 2/20 0.47
SLC2A1 P11166 1/20 0.47
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46
MAPT P10636 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL12460239 0.93 CNR1 (0.52) CNR1CNR2MEN1KMT2AHTT
SCHEMBL30630917 0.91 CNR1 (0.61) CNR1CNR2MEN1KMT2AHTT
SCHEMBL29802558 0.91 CNR1 (0.61) CNR1CNR2MEN1KMT2AHTT
SCHEMBL29802338 0.91 CNR1 (0.61) CNR1CNR2MEN1KMT2AHTT
SCHEMBL23271675 0.91 CNR1 (0.61) CNR1CNR2MEN1KMT2AHTT
SCHEMBL23271677 0.91 CNR1 (0.61) CNR1CNR2MEN1KMT2AHTT
SCHEMBL19612290 0.91 CNR1 (0.61) CNR1CNR2MEN1KMT2AHTT
SCHEMBL29802382 0.91 CNR1 (0.61) CNR1CNR2MEN1KMT2AHTT
SCHEMBL29802552 0.89 CNR1 (0.60) CNR1CNR2MEN1KMT2AHTT
SCHEMBL25638485 0.87 CNR1 (0.51) CNR1CNR2MEN1KMT2AHTT

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
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed