SCHEMBL9623697

SCHEMBL9623697

C=CCc1c(O)ccc(C(CC)=C(C(=O)O)C(=O)O)c1CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.37
PLA2G2A P14555 1/20 0.36
SRD5A1 P18405 1/20 0.36
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
XDH P47989 1/20 0.31
GABRA1 P14867 2/20 0.30
GABRB2 P47870 2/20 0.30
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH2 P05091 1/20 0.30
GAA P10253 1/20 0.30
AKR1B1 P15121 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL9168406 0.83 KDM4E (0.40) MEN1MAPTHPGDKMT2AGABRA1
SCHEMBL8772734 0.83 SRD5A1 (0.41) MTNR1APLA2G2ASRD5A1MEN1MAPT
SCHEMBL28274016 0.75 SRD5A1 (0.46) MTNR1APLA2G2ASRD5A1MEN1MAPT
SCHEMBL2214596 0.75 MAPT (0.36) MAPTLMNAHTTALDH1A1GAA
SCHEMBL9168647 0.74 PTPN1 (0.39) MEN1HPGDKMT2AALDH1A1KDM4E
SCHEMBL9623290 0.74 XDH (0.38) MEN1MAPTHPGDKMT2ALMNA
SCHEMBL10693944 0.73 SRD5A1 (0.45) MTNR1ASRD5A1MEN1MAPTHPGD
SCHEMBL10425161 0.72 ESR1 (0.51) MTNR1ASRD5A1MEN1MAPTKMT2A
SCHEMBL6936437 0.71 HPGD (0.48) MTNR1APLA2G2ASRD5A1MEN1MAPT
SCHEMBL4075526 0.71 ACHE (0.32)

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
EP-0350386-B1 UNSATURATED DERIVATIVES OF LIPID SOLUBLE BENZAL MALONATES, AND THEIR USE AS UV ABSORBERS IN THE COSMETIC FIELD L'OREAL (FR) 1992-04-08 EP claimed
JP-2059541-A None JP disclosed
JP-H0259541-A ULTRAVIOLET RADIATION ABSORBER L'OREAL SA 1990-02-28 JP disclosed