SCHEMBL21367950

SCHEMBL21367950

c1ccc(OCCCSSCCCOc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.68
TAAR1 Q96RJ0 1/20 0.54
ALDH1A1 P00352 1/20 0.54
RECQL P46063 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
LTA4H P09960 3/20 0.52
HTR1B P28222 2/20 0.52

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
SCHEMBL14499849 0.88 KCNA3 (0.64) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL6535231 0.86 KCNA3 (0.68) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL7244289 0.82 KCNA3 (0.62) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL1490164 0.82 KCNA3 (1.00) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL1025 0.82 KCNA3 (0.88) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL9011596 0.79 KCNA3 (0.94) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL28573982 0.79 KCNA3 (0.94) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL2512157 0.79 KCNA3 (0.94) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL10904079 0.79 KCNA3 (0.94) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL497029 0.79 KCNA3 (0.94) KCNA3TAAR1ALDH1A1RECQLHDAC3

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
WO-2019178373-A1 PHENOLIC RESIN COMPOSITION AND THE USE THEREOF IN A RUBBER COMPOSITION TO REDUCE HYSTERESIS SI GROUP, INC. (US) 2019-09-19 WO disclosed
WO-2019178381-A1 FUNCTIONALIZED ORGANOSULFUR COMPOUND FOR REDUCING HYSTERESIS IN A RUBBER ARTICLE SI GROUP, INC. (US) 2019-09-19 WO disclosed