SCHEMBL3203520

SCHEMBL3203520

COc1cc([S+](c2ccccc2)c2ccccc2)ccc1OCC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.47
MTNR1B P49286 5/20 0.47
POLB P06746 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 2/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL3193532 0.95 MTNR1A (0.45) MTNR1AMTNR1BPOLBSMN1; SMN2KMT2A
SCHEMBL3195163 0.94 MAPT (0.44) MTNR1AMTNR1BPOLBSMN1; SMN2KMT2A
SCHEMBL3191928 0.90 MAPT (0.42) MTNR1AMTNR1BPOLBSMN1; SMN2KMT2A
SCHEMBL3201103 0.88 MAPT (0.42) MTNR1AMTNR1BPOLBKMT2ACYP2C19
SCHEMBL3203558 0.86 HPGD (0.43) MTNR1AMTNR1BPOLBSMN1; SMN2KMT2A
SCHEMBL3206974 0.86 MAPT (0.43) MTNR1AMTNR1BPOLBSMN1; SMN2KMT2A
SCHEMBL3206766 0.86 MAPT (0.43) MTNR1AMTNR1BPOLBKMT2ACYP2C19
SCHEMBL3203339 0.86 MAPT (0.43) MTNR1AMTNR1BPOLBKMT2ACYP2C19
SCHEMBL3190419 0.81 POLB (0.44) MTNR1AMTNR1BPOLBSMN1; SMN2CYP2C19
SCHEMBL3181577 0.81 PTPN1 (0.43) MTNR1AMTNR1BPOLBKMT2ACYP2C19

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