SCHEMBL6533751

SCHEMBL6533751

C=CC[n+]1cccc(S(=O)(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
LMNA P02545 1/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC4 P56524 1/20 0.31
NT5E P21589 1/20 0.31
POLB P06746 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL6533749 0.83 HDAC1 (0.31) HDAC1HDAC4
SCHEMBL28334169 0.77 TSHR (0.45) TSHRSMN1; SMN2TDP1ALDH1A1HSD17B10
SCHEMBL28336371 0.74 SMN1; SMN2 (0.42) TSHRSMN1; SMN2TDP1ALDH1A1HSD17B10
SCHEMBL10918146 0.74 TSHR (0.42) TSHRSMN1; SMN2TDP1ALDH1A1HSD17B10
Sulfuric Acid SCHEMBL4306444 0.74 KMT2A (0.31)
Hydrochloric Acid SCHEMBL8754758 0.73 KDM4E (0.52) ALDH1A1HDAC1HDAC4
SCHEMBL10786211 0.72 LMNA (0.54) TSHRSMN1; SMN2ALDH1A1LMNACYP2D6
SCHEMBL14387378 0.72 KMT2A (0.49) TSHRALDH1A1NAPRTLMNACYP2D6
SCHEMBL15174678 0.71 HDAC1 (0.42) TSHRLMNAHDAC1HDAC4
Fluoride Ion SCHEMBL5148077 0.71 KMT2A (0.47) TSHRALDH1A1NAPRTLMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051655-B1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2005-09-28 EP disclosed
EP-1051655-A4 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2003-03-19 EP disclosed
US-20010016731-A1 Methods and apparatus for accelerated orthokeratology DEVORE DALE (US) 2001-08-23 US disclosed
US-6161544-A Methods for accelerated orthokeratology KERATOFORM, INC. (US) 2000-12-19 US disclosed
EP-1051655-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY Ista Pharmaceuticals, Inc. (US) 2000-11-15 EP disclosed
WO-1999039238-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY KERATOFORM, INC. (US) 1999-08-05 WO disclosed