SCHEMBL27435358

SCHEMBL27435358

CC(C)CCCNCCCCCCN(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 3/20 0.42
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
DNM1 Q05193 3/20 0.39
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM4A O75164 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
CHRM2 P08172 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
CYP1A2 P05177 1/20 0.31
PRMT3 O60678 1/20 0.31
CARM1 Q86X55 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
SCHEMBL19516596 0.92 TDP1 (0.52) PAOXTDP1ALDH1A1TSHRKDM4E
SCHEMBL22482665 0.91 TDP1 (0.56) PAOXTDP1ALDH1A1TSHRKDM4E
Hydrochloric Acid SCHEMBL31278439 0.90 PAOX (0.50) PAOXTDP1ALDH1A1TSHRKDM4E
SCHEMBL30463704 0.88 CYP2C19 (0.50) PAOXTDP1ALDH1A1TSHRKDM4E
SCHEMBL30463701 0.88 CYP2C19 (0.50) PAOXTDP1ALDH1A1TSHRKDM4E
SCHEMBL30463700 0.88 CYP2C19 (0.50) PAOXTDP1ALDH1A1TSHRKDM4E
SCHEMBL11932523 0.87 CYP2C9 (0.54) PAOXTDP1ALDH1A1TSHRKDM4E
SCHEMBL6236984 0.84 TSHR (0.43) ALDH1A1TSHRCYP2C19CYP2C9MEN1
SCHEMBL3692044 0.84 TSHR (0.43) ALDH1A1TSHRCYP2C19CYP2C9MEN1
SCHEMBL759749 0.84 ALDH1A1 (0.65) PAOXTDP1ALDH1A1TSHRKDM4E

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
CN-1120557-A Aqueous synthetic resin dispersion HOECHST AG (DE) 1996-04-17 CN disclosed
CN-1103072-A Solvent-free agueous synthetic-resin dispersion HOECHST AG (DE) 1995-05-31 CN disclosed
CN-1098120-A Aqueous synthetic resin dispersion HOECHST AG (DE) 1995-02-01 CN disclosed