SCHEMBL7901800

SCHEMBL7901800

C=C(C)COc1ccccc1[S+](C)C.O=[N+]([O-])[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
RECQL P46063 1/20 0.38
GPR174 Q9BXC1 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 2/20 0.35
S1PR4 O95977 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ITGA4 P13612 1/20 0.35
HPGD P15428 1/20 0.35
S1PR1 P21453 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TLR9 Q9NR96 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
SCHEMBL5443492 0.78 ALDH1A1 (0.68) ALDH1A1HTTKMT2AMEN1KDM4E
SCHEMBL7901803 0.78 ELANE (0.41) ALDH1A1HTTKMT2AMEN1KDM4E
SCHEMBL29457182 0.75 SMN1; SMN2 (0.48) ALDH1A1HTTKMT2AMEN1KDM4E
SCHEMBL9750660 0.75 SMN1; SMN2 (0.48) ALDH1A1HTTKMT2AMEN1KDM4E
SCHEMBL8387594 0.72 ALDH1A1 (0.53) ALDH1A1HTTKMT2AMEN1RAB9A
SCHEMBL11836784 0.72 ALDH1A1 (0.55) ALDH1A1HTTKMT2AMEN1KDM4E
SCHEMBL10870502 0.70 MEN1 (0.45) ALDH1A1HTTKMT2AMEN1KDM4E
SCHEMBL11252456 0.69 GPR174 (0.40) ALDH1A1HTTKMT2AMEN1KDM4E
SCHEMBL8390273 0.69 GAA (0.55) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL5785927 0.69 SMN1; SMN2 (0.61) HTTKMT2AMEN1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6238541-B1 ADHESION; CORROSION RESISTANCE; SURFACE TREATMENT NIPPON PAINT CO., LTD. (JP) 2001-05-29 US disclosed