SCHEMBL7950768

SCHEMBL7950768

CCCOC(=O)C1=C(C(=O)O)CCC(C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
MAPT P10636 6/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.39
PPM1B O75688 1/20 0.37
PTPN1 P18031 1/20 0.37
PPP1CC P36873 1/20 0.37
KDM4E B2RXH2 3/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CHRM1 P11229 3/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM3 P20309 2/20 0.36
ESR1 P03372 1/20 0.35

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
SCHEMBL5607518 0.80 LMNA (0.48) ALDH1A1MAPTLMNAKDM4ETSHR
SCHEMBL2646503 0.79 MEN1 (0.38) ALDH1A1MAPTMAPK1LMNAKDM4E
SCHEMBL4620598 0.78 HCAR2 (0.37) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL28347013 0.77 LMNA (0.46) ALDH1A1MAPTLMNAKDM4ETSHR
SCHEMBL7950766 0.74 KDM4E (0.46) ALDH1A1MAPTMAPK1LMNAKDM4E
SCHEMBL8680389 0.74 HCAR2 (0.34) ALDH1A1MAPTMAPK1KDM4ETSHR
SCHEMBL734433 0.73 HCAR2 (0.35) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL20263547 0.71 KDM4E (0.49) ALDH1A1MAPTMAPK1LMNAKDM4E
SCHEMBL4449462 0.70 TSHR (0.49) ALDH1A1MAPK1LMNATSHRHSD17B10
SCHEMBL24373045 0.70 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255305-B1 PSYCHOLOGICAL DISORDERS MERCK SHARP & DOHME LIMITED (GB) 2001-07-03 US disclosed