SCHEMBL9330418

SCHEMBL9330418

O=C(O)c1cccc(CCCCCCc2cccc(C(=O)O)c2C(=O)O)c1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 7/20 0.58
MCL1 Q07820 7/20 0.58
BCL2L1 Q07817 6/20 0.58
BAK1 Q16611 6/20 0.58
KAT8 Q9H7Z6 3/20 0.58
PPARA Q07869 3/20 0.58
PPARG P37231 2/20 0.58
SAE1 Q9UBE0 2/20 0.58
EP300 Q09472 2/20 0.58
KAT2B Q92831 2/20 0.58
KAT5 Q92993 2/20 0.58
KAT2A Q92830 1/20 0.58
FOLH1 Q04609 1/20 0.54
MMP2 P08253 2/20 0.50
F7 P08709 2/20 0.50
F3 P13726 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
ECE1 P42892 1/20 0.50

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
SCHEMBL211983 1.00 BID (0.58) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL10885451 0.98 BID (0.56) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5114102 0.94 FOLH1 (0.56) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL11052053 0.93 BID (0.53) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL3033684 0.92 BID (0.72) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5424052 0.92 BID (0.72) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5519496 0.92 BID (0.72) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL3258790 0.92 BID (0.72) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL23277 0.92 BID (0.72) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL301487 0.92 BID (0.72) BIDMCL1BCL2L1BAK1KAT8

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-0359340-B1 Spirodilactam polymers SHELL INT RESEARCH (NL) 1994-03-16 EP disclosed
US-5028688-A Polyamideimide polymers SHELL OIL COMPANY (US) 1991-07-02 US disclosed
US-4978736-A Polyamideimide polymers SHELL OIL COMPANY (US) 1990-12-18 US disclosed
EP-0359340-A2 Spirodilactam polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-03-21 EP disclosed