SCHEMBL16859321

SCHEMBL16859321

CCCCCCCCOc1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
CHRM2 P08172 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADRA2A P08913 1/20 0.50
MAPT P10636 1/20 0.50
OPRK1 P41145 1/20 0.50
HTR2B P41595 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 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
SCHEMBL29919692 1.00 S1PR1 (0.50) S1PR1MEN1KMT2ANR1I2LMNA
SCHEMBL10778567 1.00 S1PR1 (0.50) S1PR1MEN1KMT2ANR1I2LMNA
SCHEMBL16224816 1.00 S1PR1 (0.50) S1PR1MEN1KMT2ANR1I2LMNA
SCHEMBL13481127 0.87 DRD2 (0.47) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL8778580 0.83 MRGPRX4 (0.47) MEN1KMT2AALDH1A1KDM4EDRD2
SCHEMBL8955969 0.83 ALDH1A1 (0.52) S1PR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL11133824 0.82 ALDH1A1 (0.60) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL24306004 0.82 S1PR1 (0.56) S1PR1MEN1KMT2ANR1I2LMNA
SCHEMBL24306001 0.82 S1PR1 (0.47) S1PR1MEN1KMT2ANR1I2LMNA
SCHEMBL2859001 0.81 LMNA (0.62) MEN1KMT2ANR1I2LMNACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2861976-B1 OPTIMIZED UNIVERSAL ION-SELECTIVE ELECTRODE PION INC (US) 2019-06-12 EP disclosed
US-10018584-B2 Optimized universal ion-selective electrode PION INC. (US) 2018-07-10 US disclosed
US-20150185179-A1 OPTIMIZED UNIVERSAL ION-SELECTIVE ELECTRODE OCTENS BVBA (BE) 2015-07-02 US disclosed