SCHEMBL8865459

SCHEMBL8865459

COc1ccc(COC(=O)CC(=O)O)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
KDM4C Q9H3R0 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL8865449 0.92 APLNR (0.56) APLNRHSD17B10POLBMEN1KMT2A
SCHEMBL8642124 0.84 APLNR (0.49) APLNRHSD17B10POLBMEN1KMT2A
SCHEMBL21125954 0.84 APLNR (0.49) APLNRHSD17B10POLBMEN1KMT2A
SCHEMBL23743701 0.82 HSD17B10 (0.46) APLNRHSD17B10POLBMEN1KMT2A
SCHEMBL29081751 0.82 POLB (0.48) APLNRHSD17B10POLBMEN1KMT2A
Butane SCHEMBL8150861 0.82 POLB (0.46) HSD17B10POLBMEN1KMT2AALDH1A1
SCHEMBL27621744 0.81 APLNR (0.53) APLNRHSD17B10POLBMEN1KMT2A
SCHEMBL9091271 0.81 TDP1 (0.50) HSD17B10POLBKMT2AALDH1A1
SCHEMBL19860802 0.80 APLNR (0.51) APLNRHSD17B10POLBMEN1KMT2A
SCHEMBL27728542 0.80 HSD17B10 (0.59) HSD17B10MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5672701-A 4-substituted alkyl carbapenem antibiotics BRISTOL-MYERS SQUIBB COMPANY (US) 1997-09-30 US disclosed
CN-1030918-C 4-substituted alkyl carbapenem antibiotics BRISTOL MYERS SQUIBB CO (US) 1996-02-07 CN disclosed
EP-0433759-A1 4-Substituted alkyl carbapenem antibiotics Bristol-Myers Squibb Company (US) 1991-06-26 EP disclosed