SCHEMBL6661829

SCHEMBL6661829

CCCCCCCCOc1ccc(-c2cc(OC(OCCCCC)[C@H](CC)OC)ccc2-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.45
RARB P10826 3/20 0.44
PTPN1 P18031 1/20 0.42
HDAC8 Q9BY41 4/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
LTA4H P09960 1/20 0.40
PLA2G4B P0C869 2/20 0.40
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38
SOAT1 P35610 1/20 0.38

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
SCHEMBL6657212 0.94 PTPN11 (0.44) PTPN11RARBPTPN1HDAC8TP53
SCHEMBL6675268 0.94 PTPN11 (0.47) PTPN11RARBPTPN1HDAC8TP53
SCHEMBL6656876 0.94 PTPN11 (0.47) PTPN11RARBPTPN1HDAC8TP53
SCHEMBL6657963 0.94 PTPN11 (0.47) PTPN11RARBPTPN1HDAC8TP53
SCHEMBL6661830 0.85 PTPN11 (0.43) PTPN11TSHRPLA2G4B
SCHEMBL6659332 0.85 PTPN11 (0.41) PTPN11RARBPTPN1TP53TSHR
SCHEMBL6656977 0.83 PTPN11 (0.41) PTPN11RARBTP53TSHR
SCHEMBL6656108 0.83 PTPN11 (0.43) PTPN11RARBPTPN1HDAC8
SCHEMBL6655586 0.82 PTPN11 (0.41) PTPN11PTPN1HDAC8
SCHEMBL6661434 0.79 THRA (0.40) PTPN11PTPN1HDAC8SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1160233-B1 Novel terphenyl compounds SHARP KK (JP) 2004-07-21 EP claimed
EP-1160233-A2 Novel terphenyl compounds SHARP KABUSHIKI KAISHA (JP) 2001-12-05 EP claimed
EP-1160233-B1 Novel terphenyl compounds SHARP KK (JP) 2004-07-21 EP disclosed
EP-1160233-A2 Novel terphenyl compounds SHARP KABUSHIKI KAISHA (JP) 2001-12-05 EP disclosed