SCHEMBL3206333

SCHEMBL3206333

COc1c(O)cccc1[S+](c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
TSHR P16473 3/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE4B Q07343 5/20 0.38
PDE4A P27815 4/20 0.38
PDE4C Q08493 4/20 0.38
PDE4D Q08499 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 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
SCHEMBL3197636 0.81 ALDH1A1 (0.36) CA1CA2TSHRALDH1A1TDP1
SCHEMBL3191907 0.80 NFE2L2 (0.45) CA1CA2TSHRTP53ALDH1A1
SCHEMBL3200971 0.80 SMN1; SMN2 (0.35) TSHRALDH1A1KDM4EMAPK1LMNA
SCHEMBL3200953 0.76 ALDH1A1 (0.43) CA1CA2TSHRALDH1A1KDM4E
SCHEMBL31005107 0.76 ALDH1A1 (0.43) CA1CA2TSHRALDH1A1KDM4E
SCHEMBL3206193 0.76 TRPA1 (0.45) CA1CA2TSHRTP53ALDH1A1
SCHEMBL3189062 0.75 KDM4E (0.52) CA1CA2TSHRTP53ALDH1A1
SCHEMBL3195082 0.75 ALDH1A1 (0.46) CA1CA2TSHRTP53ALDH1A1
SCHEMBL3200916 0.73 NFE2L2 (0.33) CA1CA2ALDH1A1KDM4EMAPK1
2-Methoxyresorcinol SCHEMBL69297 0.73 CA2 (0.61) CA1CA2TSHRTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8206888-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2012-06-26 US disclosed
US-20100028800-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-02-04 US disclosed
EP-1953593-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-08-06 EP disclosed
US-7060414-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-06-13 US disclosed
US-20050158657-A1 Radiation-sensitive resin composition SUZUKI AKI (JP) 2005-07-21 US disclosed
US-6899989-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-05-31 US disclosed
US-20020090569-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-07-11 US disclosed