SCHEMBL16419397

SCHEMBL16419397

CC(C)(C)CCCOCCOCCO

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TSHR P16473 2/20 0.52
THRB P10828 1/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 2/20 0.40
HRH3 Q9Y5N1 3/20 0.40
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CASP1 P29466 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32

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
SCHEMBL14190949 0.98 TSHR (0.54) MEN1KMT2ATSHRTHRBHTT
SCHEMBL969193 0.93 MEN1 (0.56) MEN1KMT2ATSHRTHRBHTT
SCHEMBL19668069 0.91 TSHR (0.52) MEN1KMT2ATSHRTHRBHTT
SCHEMBL13804946 0.88 TSHR (0.42) MEN1KMT2ATSHRTHRBHTT
SCHEMBL25960823 0.87 HRH3 (0.46) MEN1KMT2ATSHRTHRBHTT
SCHEMBL17526421 0.86 TSHR (0.41) MEN1KMT2ATSHRTHRBHTT
SCHEMBL14898427 0.86 CYP4F2 (0.42) MEN1KMT2ATSHRTHRBHTT
SCHEMBL2639369 0.85 MEN1 (0.58) MEN1KMT2ATSHRTHRBHTT
SCHEMBL17971072 0.85 MEN1 (0.58) MEN1KMT2ATSHRTHRBHTT
SCHEMBL14706369 0.85 MEN1 (0.58) MEN1KMT2ATSHRTHRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107072993-B Pharmaceutical containing sodium-dependent phosphate transporter inhibitor 中外制药株式会社 2021-02-12 CN disclosed
US-9962644-B2 Process for increased selectivity and capacity for hydrogen sulfide capture from acid gases EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2018-05-08 US disclosed
US-20170182455-A1 PROCESS FOR INCREASED SELECTIVITY AND CAPACITY FOR HYDROGEN SULFIDE CAPTURE FROM ACID GASES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2017-06-29 US disclosed
US-20150027055-A1 SEPARATION OF HYDROGEN SULFIDE FROM NATURAL GAS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2015-01-29 US disclosed
US-20150027056-A1 SEPARATION OF HYDROGEN SULFIDE FROM NATURAL GAS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2015-01-29 US disclosed