SCHEMBL8962328

SCHEMBL8962328

O=C(c1ccc(C(=O)O)c(C(=O)O)c1)c1ccccc1Cl

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.77
CDC25A P30304 1/20 0.77
HSD17B10 Q99714 1/20 0.77
ALDH1A1 P00352 5/20 0.62
POLB P06746 5/20 0.62
NR4A1 P22736 1/20 0.59
KDM4E B2RXH2 1/20 0.59
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
AKR1C3 P42330 3/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.51
SRD5A2 P31213 1/20 0.50
ALOX15 P16050 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL9718447 0.88 KDM4E (0.67) CDC25BCDC25AHSD17B10ALDH1A1POLB
SCHEMBL9717002 0.88 CDC25B (0.64) CDC25BCDC25AHSD17B10ALDH1A1POLB
SCHEMBL3074652 0.87 CDC25B (1.00) CDC25BCDC25AHSD17B10ALDH1A1POLB
SCHEMBL2058645 0.87 CDC25B (1.00) CDC25BCDC25AHSD17B10ALDH1A1POLB
SCHEMBL8962191 0.87 CDC25B (0.67) CDC25BCDC25AHSD17B10ALDH1A1POLB
SCHEMBL7120813 0.82 KMT2A (0.64) CDC25BALDH1A1POLBNR4A1KDM4E
SCHEMBL5151518 0.81 ALDH1A1 (0.75) CDC25BCDC25AHSD17B10ALDH1A1POLB
SCHEMBL31304680 0.81 ALDH1A1 (0.75) CDC25BCDC25AHSD17B10ALDH1A1POLB
SCHEMBL3444937 0.81 KMT2A (0.72) CDC25BALDH1A1POLBNR4A1L3MBTL1
SCHEMBL1443365 0.81 ALDH1A1 (0.73) CDC25BCDC25AHSD17B10ALDH1A1POLB

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
WO-1995024424-A1 CYCLIC PEPTIDE LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 1995-09-14 WO claimed
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