SCHEMBL8962217

SCHEMBL8962217

CCC(=O)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.53
CDC25B P30305 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSP90AB1 P08238 1/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL988145 0.86 SMN1; SMN2 (0.48) L3MBTL1ATMSMN1; SMN2MAPTKDM4E
SCHEMBL19328971 0.86 KDM4E (0.55) CDC25ACDC25BHSD17B10L3MBTL1POLB
SCHEMBL14360615 0.85 ALDH1A1 (0.47) L3MBTL1ATMSMN1; SMN2MAPTKDM4E
SCHEMBL15544772 0.85 MAPT (0.47) L3MBTL1TDP1ATMSMN1; SMN2MAPT
SCHEMBL11595459 0.85 HSP90AB1 (0.55) L3MBTL1POLBATMSMN1; SMN2MAPT
SCHEMBL1576999 0.85 CSNK2A1 (0.53) HSD17B10L3MBTL1TDP1SMN1; SMN2MAPT
SCHEMBL8962350 0.85 HPGD (0.54) CDC25ACDC25BHSD17B10L3MBTL1POLB
Propionic Acid SCHEMBL122758 0.84 KDM4E (0.56) CDC25ACDC25BHSD17B10L3MBTL1POLB
SCHEMBL31186552 0.83 HSD17B10 (0.57) CDC25ACDC25BHSD17B10L3MBTL1POLB
Propane SCHEMBL8954698 0.83 KDM4E (0.60) CDC25ACDC25BHSD17B10L3MBTL1POLB

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-5530130-A DYEING PLASTICS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
EP-0639624-A1 Phthaloperinone dyestuffs BAYER AG (DE) 1995-02-22 EP disclosed