SCHEMBL8940796

SCHEMBL8940796

CC(=O)N(CCO)CCO

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
ALDH1A1 P00352 4/20 0.37
ALDH2 P05091 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
PDK2 Q15119 1/20 0.33
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL474902 1.00 MAPT (0.40) MAPTCA12CA2CA9CA1
Sulfuric Acid SCHEMBL27697426 0.89 MAPT (0.33) MAPTCA12CA2CA9CA1
SCHEMBL8630891 0.89 CA12 (0.46) MAPTCA12CA2CA9CA1
SCHEMBL1713080 0.89 MAPT (0.33) MAPTCA12CA2CA9CA1
SCHEMBL27397564 0.87 CA12 (0.32) MAPTCA12CA2CA9CA1
SCHEMBL8637059 0.86
SCHEMBL1712773 0.85 ALDH1A1 (0.42) ALDH1A1ALDH2KDM4EPDK2LMNA
SCHEMBL15223947 0.85 MAPT (0.36) MAPTCA12CA2CA9CA1
SCHEMBL8630907 0.85 CA12 (0.50) CA12CA2CA9CA1ALDH1A1
SCHEMBL1406473 0.84

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-5523430-A Protein farnesyl transferase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-06-04 US disclosed
US-5510510-A Inhibitors of farnesyl protein transferase BRISTOL-MEYERS SQUIBB COMPANY (US) 1996-04-23 US disclosed
EP-0696593-A2 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1996-02-14 EP disclosed
EP-0618221-A2 Heterocyclic inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1994-10-05 EP disclosed