SCHEMBL9355233

SCHEMBL9355233

C/C(C(=O)O)=C(/C(=O)O)c1ccccc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
GABRA1 P14867 3/20 0.41
GABRB2 P47870 2/20 0.41
BCL2 P10415 2/20 0.39
MCL1 Q07820 1/20 0.39
GABRB1 P18505 2/20 0.39
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GABRG2 P18507 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38

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
SCHEMBL9355234 1.00 LMNA (0.41) LMNAKMT2AGABRA1GABRB2BCL2
SCHEMBL38971 0.80 LMNA (0.40) LMNAKMT2AGABRA1GABRB2BCL2
Hydrogen Peroxide SCHEMBL1652481 0.78 GABRA1 (0.48) LMNAKMT2AGABRA1GABRB2BCL2
SCHEMBL9355900 0.77 ERCC5 (0.50) KMT2ACYP3A4HPGDTSHRCYP2C9
SCHEMBL9355146 0.77 ERCC5 (0.50) KMT2ACYP3A4HPGDTSHRCYP2C9
SCHEMBL1635308 0.76 GABRA1 (0.50) LMNAKMT2AGABRA1GABRB2BCL2
SCHEMBL254364 0.76 ALDH1A1 (0.59) LMNAKMT2AGABRA1GABRB2GABRB1
SCHEMBL29567244 0.76 GABRA1 (0.50) LMNAKMT2AGABRA1GABRB2BCL2
Hydrogen Peroxide SCHEMBL9514730 0.76 ALDH1A1 (0.59) LMNAKMT2AGABRA1GABRB2GABRB1
SCHEMBL29657201 0.76 ALDH1A1 (0.59) LMNAKMT2AGABRA1GABRB2GABRB1

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
EP-0242618-B1 Transparent optical article and process for preparing same NIPPON OILS & FATS CO LTD (JP) 1994-11-02 EP claimed