SCHEMBL28236232

SCHEMBL28236232

CCCCN(CCCC)SCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
ALDH2 P05091 1/20 0.39
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
DNM1 Q05193 3/20 0.35
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA9 Q16790 3/20 0.33
THRB P10828 1/20 0.33
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL19148697 0.81 ALDH1A1 (0.39) ALDH1A1ALDH2TSHRLMNADNM1
SCHEMBL26180569 0.80 TSHR (0.36) TSHRCA12CA1CA9CA2
SCHEMBL28198468 0.79 ALDH1A1 (0.37) ALDH1A1ALDH2TSHRLMNADNM1
SCHEMBL8875506 0.78 MGLL (0.44) ALDH1A1ALDH2TSHRLMNADNM1
SCHEMBL11272483 0.75 ALDH1A1 (0.39) ALDH1A1ALDH2TSHRLMNADNM1
SCHEMBL3961622 0.73 ALDH1A1 (0.37) ALDH1A1ALDH2TSHRLMNADNM1
SCHEMBL18715308 0.73 ALDH1A1 (0.37) ALDH1A1ALDH2TSHRLMNADNM1
SCHEMBL19413350 0.73 ALDH1A1 (0.37) ALDH1A1ALDH2TSHRLMNADNM1
SCHEMBL11272480 0.73 ALDH1A1 (0.37) ALDH1A1ALDH2TSHRLMNADNM1
SCHEMBL19148709 0.73 DNM1 (0.35) ALDH1A1ALDH2DNM1

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-108339570-A Reducing catalyst and the chemical reaction equipment, restoring method and reduction biological production system for having used reducing catalyst 株式会社东芝 2018-07-31 CN claimed
CN-108339570-A Reducing catalyst and the chemical reaction equipment, restoring method and reduction biological production system for having used reducing catalyst 株式会社东芝 2018-07-31 CN disclosed