SCHEMBL8045831

SCHEMBL8045831

CC(C)(C)OC(=O)c1cc2cc(CBr)ccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA3 P07451 2/20 0.41
CA6 P23280 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
CA5A P35218 1/20 0.41
PIM1 P11309 3/20 0.41
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
BRCA1 P38398 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
SCHEMBL1065627 0.84 LMNA (0.55) LMNATP53KDM4EHSD17B10CA12
SCHEMBL21612895 0.83 PIM1 (0.60) LMNAKDM4EHSD17B10CA12CA2
SCHEMBL1066544 0.82 CA12 (0.55) LMNATP53KDM4EHSD17B10CA12
SCHEMBL8056509 0.82 LMNA (0.44) LMNATP53KDM4EHSD17B10CA12
SCHEMBL3487931 0.81 FLT3 (0.61) LMNATP53KDM4EHSD17B10CA2
SCHEMBL29926214 0.78 MAPT (0.60) TP53HSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL23486859 0.78 PIM1 (0.41) LMNATP53KDM4EHSD17B10PIM1
SCHEMBL5592937 0.77 LMNA (0.65) LMNATP53KDM4EHSD17B10CA12
SCHEMBL27349246 0.77 PIM1 (0.71) KDM4ECA2PIM1GAAFLT3
SCHEMBL9318977 0.76 MAOB (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563475-B1 Cell binding agent conjugates of derivatives of CC-1065 IMMUNOGEN INC (US) 2000-05-31 EP disclosed
US-5846545-A Targeted delivery of cyclopropylbenzindole-containing cytotoxic drugs IMMUNOGEN, INC. (US) 1998-12-08 US disclosed
US-5585499-A DRUG DELIVERY IMMUNOGEN INC. (US) 1996-12-17 US disclosed
US-5475092-A Deliver cytotoxic drugs to specific cell population in targeted fashion IMMUNOGEN INC. (US) 1995-12-12 US disclosed
EP-0563475-A1 Cell binding agent conjugates of derivatives of CC-1065 IMMUNOGEN INC (US) 1993-10-06 EP disclosed