SCHEMBL8978055

SCHEMBL8978055

O=C(O)C1C2CC3C(C(=O)O)C1CC(C2C(=O)O)C3C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.57
TDP1 Q9NUW8 3/20 0.57
LMNA P02545 4/20 0.41
PMP22 Q01453 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 2/20 0.41
APEX1 P27695 1/20 0.41
GMNN O75496 1/20 0.41
TFPI2 P48307 1/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
CYP2D6 P10635 2/20 0.40
BLM P54132 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALOX15 P16050 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 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
SCHEMBL432536 0.93 POLB (0.57) POLBTDP1LMNAPMP22TSHR
SCHEMBL6561586 0.82 POLB (0.42) POLBTDP1LMNAPMP22TSHR
SCHEMBL3425859 0.80 POLB (0.52) POLBTDP1LMNAPMP22TSHR
SCHEMBL16249905 0.80 POLB (0.52) POLBTDP1LMNAPMP22TSHR
SCHEMBL29488848 0.80 PPM1B (0.52) POLBTDP1CYP1A2CYP2C19MEN1
SCHEMBL12231001 0.79 POLB (0.48) POLBTDP1LMNAPMP22TSHR
SCHEMBL20540759 0.78 POLB (0.44) POLBTDP1LMNAPMP22TSHR
SCHEMBL20540760 0.78 POLB (0.44) POLBTDP1LMNAPMP22TSHR
SCHEMBL20540937 0.78 POLB (0.44) POLBTDP1LMNAPMP22TSHR
SCHEMBL20540761 0.78 POLB (0.44) POLBTDP1LMNAPMP22TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707572-A1 IODINATED OLIGOMERIC COMPOUNDS AND DIAGNOSTIC COMPOSITIONS CONTAINING THE SAME BRACCO S.p.A. (IT) 1996-04-24 EP disclosed
WO-1995001966-A1 IODINATED OLIGOMERIC COMPOUNDS AND DIAGNOSTIC COMPOSITIONS CONTAINING THE SAME BRACCO S.P.A. (IT) 1995-01-19 WO disclosed