SCHEMBL2731284

SCHEMBL2731284

CCCCCCCCc1sc2c(c1CCCCCCCC)CC2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.33
ALDH1A1 P00352 1/20 0.33
GPR35 Q9HC97 5/20 0.31
TYMP P19971 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL991441 0.76 ALDH1A1 (0.41) ALDH1A1GPR35TYMP
SCHEMBL329004 0.74 ALDH1A1 (0.44) ALDH1A1GPR35TYMP
SCHEMBL21603780 0.73 MEN1 (0.41) CCR5ALDH1A1MEN1KMT2A
SCHEMBL12874162 0.69 GPR35 (0.37) ALDH1A1GPR35TYMP
SCHEMBL12704406 0.69 GPR35 (0.37) ALDH1A1GPR35TYMP
SCHEMBL21603883 0.67 ALDH1A1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL17008157 0.66 TSHR (0.57) ALDH1A1TYMPMEN1KMT2A
SCHEMBL9347762 0.66 GPR35 (0.35) ALDH1A1GPR35TYMP
SCHEMBL9994207 0.65 TSHR (0.42) ALDH1A1GPR35TYMP
SCHEMBL13337265 0.65 TSHR (0.42) ALDH1A1GPR35TYMP

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-2013024929-A1 METHOD FOR FABRICATING LIGHT-CURABLE INKJET INK FOR A BATTERY OR CAPACITOR USING AN ULTRA-HIGH-MOLECULAR-WEIGHT POLYMER LAYER 주식회사 씨드 (KR) 2013-02-21 WO disclosed
WO-2012057372-A1 PREPARATION METHOD OF RADIATION CURING INK-JET INK COMPOSITION FOR ELECTRICAL OR ELECTRONIC MATERIALS CAPABLE OF USING THREE-DIMENSIONAL INK-JET PRINTING SYSTEM 주식회사 씨드 (KR) 2012-05-03 WO disclosed