SCHEMBL9720689

SCHEMBL9720689

CCS(=O)(=O)c1ccc(/C=C/c2ccc(/C=C/c3ccc(S(=O)(=O)CC)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.56
GAA P10253 1/20 0.56
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTR2A P28223 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTPN1 P18031 1/20 0.39
PLCG1 P19174 1/20 0.38
PTGS2 P35354 1/20 0.38
LMNA P02545 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL9720695 1.00 PSIP1 (0.56) PSIP1GAAKDM4EMAPTALDH1A1
SCHEMBL17688632 0.89 PSIP1 (0.50) PSIP1GAAKDM4EMAPTALDH1A1
SCHEMBL17688692 0.89 PSIP1 (0.50) PSIP1GAAKDM4EMAPTALDH1A1
SCHEMBL17688630 0.89 PSIP1 (0.50) PSIP1GAAKDM4EMAPTALDH1A1
SCHEMBL10455034 0.84 PSIP1 (0.74) PSIP1GAAALDH1A1KMT2AMEN1
SCHEMBL2264989 0.84 PSIP1 (0.54) PSIP1GAAKDM4EMAPTALDH1A1
SCHEMBL3696887 0.82 TDP1 (0.57) PSIP1GAAKDM4EMAPTALDH1A1
SCHEMBL13790299 0.78 THRB (0.51) GAAMAPTALDH1A1KMT2AMEN1
SCHEMBL9720835 0.78 PSIP1 (0.43) PSIP1GAAMAPTALDH1A1KMT2A
SCHEMBL9720836 0.78 PSIP1 (0.43) PSIP1GAAMAPTALDH1A1KMT2A

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-5152922-A 1,4-DISTYRYLBENZENE COMPOUNDS AND MIXTURES THEREOF WITH OTHER 1,4-DISTYRYBENZENE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1992-10-06 US claimed
US-5152922-A 1,4-DISTYRYLBENZENE COMPOUNDS AND MIXTURES THEREOF WITH OTHER 1,4-DISTYRYBENZENE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed