SCHEMBL28058239

SCHEMBL28058239

CC(S)(Oc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
CA4 P22748 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
LTA4H P09960 1/20 0.36
TSHR P16473 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CYP3A4 P08684 1/20 0.35
CCR6 P51684 1/20 0.35
KCNH2 Q12809 1/20 0.35
KCNN4 O15554 4/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RIPK1 Q13546 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL8672746 0.78 CA4 (0.43) MAPK1ALDH1A1ALOX15CA4LTA4H
SCHEMBL9331411 0.76 MAPK1 (0.61) MAPK1ALDH1A1ALOX15CA4TAAR1
SCHEMBL6566057 0.76 MAPK1 (0.48) MAPK1ALDH1A1ALOX15CA4TAAR1
SCHEMBL1356943 0.73 ALDH1A1 (0.46) MAPK1ALDH1A1ALOX15CA4TAAR1
SCHEMBL3034923 0.73 MAPK1 (0.44) MAPK1ALDH1A1ALOX15CA4TAAR1
SCHEMBL1356940 0.73 MAPK1 (0.44) MAPK1ALDH1A1ALOX15CA4TAAR1
SCHEMBL19286607 0.73 MAPK1 (0.56) MAPK1ALDH1A1ALOX15CA4TAAR1
SCHEMBL93074 0.72 CA4 (0.48) MAPK1ALDH1A1ALOX15CA4LTA4H
SCHEMBL4224012 0.72 CA4 (0.48) MAPK1ALDH1A1ALOX15CA4LTA4H
SCHEMBL1660600 0.72 CA4 (0.48) MAPK1ALDH1A1ALOX15CA4LTA4H

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
CN-105579241-B Thermosensitive recording medium 王子控股株式会社 2018-10-16 CN disclosed
CN-105579241-A Thermosensitive recording medium OJI HOLDINGS CORP 2016-05-11 CN disclosed