SCHEMBL27759998

SCHEMBL27759998

O=[Ti](=O)C1=Cc2cccc3cc(S(=O)(=O)O)cc1c23

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ CASP6 P55212 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ NT5E P21589 2/20 0.33
▸ RHOA P61586 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ PKM P14618 1/20 0.33
▸ DUSP5 Q16690 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 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
Ammonia Solution, Strong SCHEMBL11319530 0.73 KLK7 (0.45) ALDH1A1MAPK1MEN1KMT2ACASP6
SCHEMBL5001925 0.71 KMT2A (0.50) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL5376029 0.71 ALDH1A1 (0.39) ALDH1A1MAPK1MAPTCASP6TSHR
SCHEMBL3827398 0.71 ALDH1A1 (0.55) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL4702822 0.68 TYMS (0.58) MEN1KMT2ASMN1; SMN2PKM
SCHEMBL31004042 0.68 TYMS (0.58) MEN1KMT2ASMN1; SMN2PKM
SCHEMBL15528926 0.67 MEN1 (0.68) ALDH1A1MEN1KMT2AMAPTCASP6
SCHEMBL27636239 0.66 ALDH1A1 (0.48) ALDH1A1MAPK1KMT2AMAPTCASP6
SCHEMBL5171487 0.66 ALDH1A1 (0.51) ALDH1A1MAPK1MEN1KMT2ACASP6
SCHEMBL423301 0.66 NT5E (0.56) ALDH1A1MAPK1MEN1KMT2ACASP6

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
CN-101432644-A Birefringent film and method for producing same NITTO DENKO CORP (JP) 2009-05-13 — — CN disclosed
Send feedback