SCHEMBL11066129

SCHEMBL11066129

O=C(O)c1cccc(CCCc2ccccc2)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.63
BID P55957 1/20 0.56
BCL2L1 Q07817 1/20 0.56
MCL1 Q07820 1/20 0.56
BAK1 Q16611 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
PTPN1 P18031 3/20 0.47
PTPN2 P17706 1/20 0.47
PTPN6 P29350 1/20 0.47
PTGER1 P34995 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
FOLH1 Q04609 1/20 0.46
HNF4A P41235 1/20 0.46
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL301121 0.90 HMGB1 (0.67) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL20162476 0.86 FOLH1 (0.61) BIDBCL2L1MCL1BAK1SMN1; SMN2
SCHEMBL20696108 0.84 BID (0.54) BIDBCL2L1MCL1BAK1SMN1; SMN2
SCHEMBL18038407 0.83 BID (0.65) BIDBCL2L1MCL1BAK1SMN1; SMN2
SCHEMBL8677351 0.83 PTGER1 (0.64) HMGB1MCL1ALDH1A1PTGER1PTGER4
SCHEMBL11710027 0.82 FOLH1 (0.61) BIDBCL2L1MCL1BAK1SMN1; SMN2
SCHEMBL9304814 0.82 FFAR1 (0.52) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL28400709 0.81 HMGB1 (0.65) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL39812 0.81 HMGB1 (0.65) HMGB1BIDBCL2L1MCL1BAK1
SCHEMBL112902 0.81 PTPN1 (0.65) HMGB1SMN1; SMN2ALDH1A1KDM4ELMNA

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
US-4455298-A MOLLUSC EXTRACT MCFARLANE STUART J (NZ) 1984-06-19 US disclosed
EP-0010061-B1 PHARMACEUTICAL PREPARATIONS CONTAINING A MOLLUSC EXTRACT Mc Farlane, Stuart John (NZ) 1983-07-13 EP disclosed
WO-1980000661-A1 PHARMACEUTICAL PREPARATIONS CROFT J (NZ) 1980-04-17 WO disclosed
EP-0010061-A1 Pharmaceutical preparations containing a mollusc extract Mc Farlane, Stuart John (NZ) 1980-04-16 EP disclosed