SCHEMBL7901803

SCHEMBL7901803

C=C(C)C(=O)Oc1ccccc1[S+](C)C.O=[N+]([O-])[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
TDP1 Q9NUW8 3/20 0.39
ATM Q13315 2/20 0.39
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.33
PTGS2 P35354 3/20 0.33
KMT2A Q03164 4/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 2/20 0.33
PTGS1 P23219 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ESR1 P03372 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
HMGB1 P09429 1/20 0.33
HPGD P15428 1/20 0.33
GGT1 P19440 1/20 0.33
BLM P54132 1/20 0.33
NAPRT Q6XQN6 1/20 0.33

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
SCHEMBL4368552 0.84 ELANE (0.38) ELANETDP1ATMMAPTALDH1A1
SCHEMBL7901800 0.78 ALDH1A1 (0.43) TDP1MAPTALDH1A1KMT2AHTT
SCHEMBL2277681 0.76 ALDH1A1 (0.56) ELANETDP1MAPTALDH1A1KMT2A
SCHEMBL30803750 0.76 ELANE (0.56) ELANETDP1ATMALDH1A1PTGS2
SCHEMBL1232932 0.76 ELANE (0.56) ELANETDP1ATMALDH1A1PTGS2
SCHEMBL30803748 0.76 ELANE (0.56) ELANETDP1ATMALDH1A1PTGS2
SCHEMBL10434603 0.75 TDP1 (0.36) ELANETDP1ATMMAPTALDH1A1
SCHEMBL10434602 0.75 HSD17B10 (0.43) ELANETDP1ATMMAPTALDH1A1
SCHEMBL33914 0.72 TDP1 (0.69) ELANETDP1ATMMAPTALDH1A1
SCHEMBL31474595 0.72 TDP1 (0.69) ELANETDP1ATMMAPTALDH1A1

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