SCHEMBL9724776

SCHEMBL9724776

CCCCCCC(CC)C(=O)c1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
LMNA P02545 3/20 0.50
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
ALDH1A1 P00352 6/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
TSHR P16473 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 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
SCHEMBL14996265 0.94 LMNA (0.56) NAAALMNAPRSS1PRSS2PRSS3
SCHEMBL28265520 0.85 TDP1 (0.46) LMNAALDH1A1TSHRKMT2ACYP3A4
SCHEMBL7776756 0.84 KDM4E (0.50) NAAALMNAALDH1A1TSHRMAPT
SCHEMBL28192977 0.83 NAAA (0.54) NAAALMNAPRSS1PRSS2PRSS3
SCHEMBL9717253 0.83 NAAA (0.54) NAAALMNAPRSS1PRSS2PRSS3
SCHEMBL28265519 0.83 LMNA (0.41) NAAALMNAPRSS1PRSS2PRSS3
SCHEMBL27734298 0.80 MMP2 (0.60) NAAAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL27714048 0.80 MMP2 (0.60) NAAAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL15732430 0.80 MMP2 (0.60) NAAAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL27734323 0.80 MMP2 (0.60) NAAAPRSS1PRSS2PRSS3ALDH1A1

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-5137653-A Alkanoyl ester compounds and their intermediates and method of producing the same NIPPON MINING CO., LTD. (JP) 1992-08-11 US disclosed