SCHEMBL9009072

SCHEMBL9009072

CCC(O)c1cc(C(=O)O)cc(C(O)CC)c1C(O)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TPMT P51580 2/20 0.39
LMNA P02545 2/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
ALDH1A1 P00352 4/20 0.35
DAO P14920 1/20 0.35
PLA2G2A P14555 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CA3 P07451 1/20 0.34
SELL P14151 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL29637442 0.77 GRM1 (0.46) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL7524968 0.77 ACE2 (0.47) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL16897563 0.77 GRM1 (0.46) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL3548343 0.75 TPMT (0.55) MEN1KMT2ATPMTCA12CA1
SCHEMBL15545010 0.71 CREBBP (0.43) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL4278466 0.69 LMNA (0.45) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL7763696 0.69 TPMT (0.43) KMT2ATPMTLMNACA12CA1
SCHEMBL11396379 0.69 PPARA (0.44) MEN1KMT2ATPMTLMNACA12
SCHEMBL4204389 0.68 LMNA (0.59) KMT2ALMNACA12CA1CA2
SCHEMBL3079818 0.68 KDM5B (0.37) MEN1KMT2ALMNAALDH1A1HTT

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
US-5589317-A Thermal transfer imaging process AGFA-GEVAERT N.V. (BE) 1996-12-31 US disclosed
US-4789406-A ORGANIC REDUCTION/CHELATION AGENTS; INORGANIC REDUCING AGENT BETZ LABORATORIES, INC. (US) 1988-12-06 US disclosed