SCHEMBL11577289

SCHEMBL11577289

O=[C]CCCCCCCCCCCCCc1cccs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
TSHR P16473 2/20 0.46
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
RAB9A P51151 1/20 0.39
CYP2C19 P33261 1/20 0.38
USP2 O75604 1/20 0.38
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ASAH1 Q13510 1/20 0.36

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
SCHEMBL141983 1.00 TAAR1 (0.52) TAAR1TSHRNPC1SMN1; SMN2POLB
SCHEMBL142886 0.98 TAAR1 (0.53) TAAR1TSHRNPC1SMN1; SMN2POLB
SCHEMBL144587 0.92 TAAR1 (0.55) TAAR1TSHRNPC1SMN1; SMN2POLB
SCHEMBL144121 0.84
SCHEMBL7116263 0.84 TAAR1 (0.70) TAAR1TSHRNPC1SMN1; SMN2POLB
SCHEMBL6734915 0.84 TAAR1 (0.70) TAAR1TSHRNPC1SMN1; SMN2POLB
SCHEMBL8571535 0.84 TAAR1 (0.70) TAAR1TSHRNPC1SMN1; SMN2POLB
SCHEMBL20146704 0.82 TAAR1 (0.73) TAAR1TSHRNPC1SMN1; SMN2POLB
SCHEMBL10369196 0.81 TAAR1 (0.52) TAAR1TSHRNPC1SMN1; SMN2POLB
SCHEMBL16135383 0.81 TAAR1 (0.52) TAAR1TSHRNPC1SMN1; SMN2POLB

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
US-4097665-A Diacylnucleosides and process for preparing the same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1978-06-27 US claimed
US-4097665-A Diacylnucleosides and process for preparing the same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1978-06-27 US disclosed