SCHEMBL10448129

SCHEMBL10448129

C=CCOCCCCCCOc1ccccc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
KMT2A Q03164 3/20 0.60
PTK2B Q14289 1/20 0.60
KDM4E B2RXH2 4/20 0.50
LIG1 P18858 1/20 0.50
HTT P42858 1/20 0.48
NPC1 O15118 1/20 0.47
CYP2C9 P11712 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 3/20 0.47
CYP3A4 P08684 2/20 0.47
MEN1 O00255 1/20 0.47
NR1I2 O75469 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
MAPT P10636 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL22799636 0.91 ALDH1A1 (0.73) ALDH1A1KMT2APTK2BKDM4ELIG1
SCHEMBL28582600 0.85 KDM4E (0.60) ALDH1A1KMT2APTK2BKDM4ELIG1
SCHEMBL31265187 0.85 KDM4E (0.60) ALDH1A1KMT2APTK2BKDM4ELIG1
SCHEMBL28579092 0.85 KDM4E (0.60) ALDH1A1KMT2APTK2BKDM4ELIG1
SCHEMBL29400029 0.84 ALDH1A1 (0.76) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL571511 0.84 ALDH1A1 (0.76) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL8926671 0.84 ALDH1A1 (0.76) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL22799642 0.84 KDM4E (0.61) ALDH1A1KMT2APTK2BKDM4ELIG1
SCHEMBL40310 0.83 LIG1 (0.69) ALDH1A1KMT2APTK2BKDM4ELIG1
SCHEMBL29519569 0.83 LIG1 (0.69) ALDH1A1KMT2APTK2BKDM4ELIG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0348873-A2 Ferroelectric liquid-crystalline polymer and epoxide usable for preparing the ferroelectric liquid-crystalline polymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-01-03 EP disclosed