SCHEMBL6531740

SCHEMBL6531740

O=S(=O)(O)c1occ2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 1/20 0.37
KEAP1 Q14145 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CTRB1 P17538 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 3/20 0.33
MPL P40238 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
ATIC P31939 1/20 0.33
HIF1A Q16665 1/20 0.33
CTRC Q99895 1/20 0.33
RCE1 Q9Y256 1/20 0.33
F2 P00734 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
SCHEMBL7983245 0.80 CA2 (0.47) KEAP1CA1CA2CA9MEN1
SCHEMBL6970921 0.80 PAX8 (0.38) TSHRSMN1; SMN2CYP2D6KEAP1CA1
SCHEMBL28022520 0.73 LOX (0.41) TSHRSMN1; SMN2CA1CA2CA9
SCHEMBL276957 0.67 CYP1A2 (0.42) TSHRALDH1A1HSD17B10CYP1A2CYP2C19
SCHEMBL276956 0.67 ALDH1A1 (0.39) TSHRCA1CA2ALDH1A1HSD17B10
SCHEMBL147974 0.67 CA4 (0.37) TSHRCA1CA2ALDH1A1HSD17B10
SCHEMBL16292878 0.67 KDM4E (0.38) TSHRALDH1A1HSD17B10CYP1A2CYP2C19
SCHEMBL28306537 0.66 CYP1A2 (0.41) TSHRALDH1A1HSD17B10CYP1A2CYP2C19
SCHEMBL547449 0.65 KDM4E (0.45) TSHRALDH1A1HSD17B10CYP1A2CYP2C19
Naphthalene SCHEMBL5574575 0.64 ALOX12 (0.57) TSHRSMN1; SMN2CA1CA2CA9

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