SCHEMBL8944601

SCHEMBL8944601

CCCCC1=C(C)C(=O)OC1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 7/20 0.49
CDC25B P30305 7/20 0.49
CDC25C P30307 6/20 0.49
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TYMP P19971 1/20 0.36
ALOX5 P09917 2/20 0.36
CYP1A1 P04798 1/20 0.35
KDM4E B2RXH2 2/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 2/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL23581852 0.94 CDC25A (0.56) CDC25ACDC25BCDC25CMAPTALDH1A1
SCHEMBL10908238 0.92 CDC25A (0.59) CDC25ACDC25BCDC25CMAPTALDH1A1
SCHEMBL6238772 0.92 CDC25A (0.59) CDC25ACDC25BCDC25CMAPTALDH1A1
SCHEMBL6238660 0.92 CDC25A (0.59) CDC25ACDC25BCDC25CMAPTALDH1A1
SCHEMBL6237311 0.92 CDC25A (0.59) CDC25ACDC25BCDC25CMAPTALDH1A1
SCHEMBL10663018 0.92 CDC25A (0.59) CDC25ACDC25BCDC25CMAPTALDH1A1
SCHEMBL7197063 0.92 CDC25A (0.59) CDC25ACDC25BCDC25CMAPTALDH1A1
SCHEMBL15268000 0.89 CDC25A (0.40) CDC25ACDC25BCDC25CMAPTALDH1A1
SCHEMBL1165248 0.86 CDC25A (0.47) CDC25ACDC25BCDC25CMAPTALDH1A1
SCHEMBL4302635 0.86 CDC25A (0.60) CDC25ACDC25BCDC25CMAPTALDH1A1

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-5512651-A POLYESTERURETHANE COPOLYMER MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-04-30 US claimed
EP-0246868-A1 Site specific alkylating agents FARMITALIA CARLO ERBA S.r.l. (IT) 1987-11-25 EP disclosed
EP-0227967-A2 Imidazoline derivatives, process for preparing same, herbicide containing same, and plant growth regulator containing same IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-07-08 EP disclosed