SCHEMBL8539247

SCHEMBL8539247

C=CCSCc1ccc(CSCC=C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
ALOX5 P09917 1/20 0.50
ALDH1A1 P00352 5/20 0.37
CYP3A4 P08684 4/20 0.37
ALOX15 P16050 2/20 0.37
XDH P47989 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
HPGD P15428 3/20 0.36
TRPA1 O75762 2/20 0.36
MEN1 O00255 2/20 0.35
PPARG P37231 2/20 0.35
KMT2A Q03164 2/20 0.35
PPARD Q03181 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH2 P05091 1/20 0.35
GAA P10253 1/20 0.35
GABRA1 P14867 1/20 0.35

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
SCHEMBL45130 0.89 ESR1 (0.41) SMN1; SMN2ALOX5ALDH1A1XDHHPGD
SCHEMBL10671966 0.89 IDO1 (0.42) SMN1; SMN2ALOX5ALDH1A1CYP3A4TP53
SCHEMBL1121965 0.88 CYP2C19 (0.44) SMN1; SMN2ALOX5ALDH1A1CYP3A4HPGD
Phosphine SCHEMBL28217429 0.84 CYP2C19 (0.41) SMN1; SMN2ALOX5ALDH1A1CYP3A4HPGD
SCHEMBL13778150 0.84 RAB9A (0.42) SMN1; SMN2ALOX5TP53TSHRMEN1
SCHEMBL24188597 0.80 ACE (0.37) SMN1; SMN2ALOX5ALDH1A1CYP3A4HPGD
SCHEMBL6922223 0.80 XDH (0.58) ALOX5ALDH1A1CYP3A4ALOX15XDH
SCHEMBL8541023 0.78 ALOX5 (0.34) SMN1; SMN2ALOX5L3MBTL1
SCHEMBL31543787 0.77 ALDH1A1 (0.55) SMN1; SMN2ALOX5ALDH1A1CYP3A4ALOX15
SCHEMBL3261494 0.77 TAAR1 (0.39) SMN1; SMN2ALOX5ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817430-A POLYARYLENEVINYLENE POLYMER XEROX CORPORATION (US) 1998-10-06 US claimed
US-5876865-A POLYARYLENEVINYLENE RESIN XEROX CORPORATION (US) 1999-03-02 US disclosed
US-5817430-A POLYARYLENEVINYLENE POLYMER XEROX CORPORATION (US) 1998-10-06 US disclosed