SCHEMBL29084366

SCHEMBL29084366

CC(C)c1cccc(C(C)C)c1OC(c1c(C(C)C)cccc1C(C)C)C(CO)(CO)CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRB2 P47870 2/20 0.38
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 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
GABRB1 P18505 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
HTR2B P41595 1/20 0.38
GABRA2 P47869 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
SCHEMBL5014429 0.79 THRB (0.30) LMNASLC6A2HTR2BTHRBRORC
SCHEMBL1032656 0.75 SCN4A (0.36) LMNACYP1A2CYP3A4TSHRHTR2B
SCHEMBL1031459 0.72 CA2 (0.37) GABRA1GABRB2CA2TSHR
SCHEMBL4200174 0.69 CA2 (0.34) GABRA1GABRB2CA2TSHR
SCHEMBL5014518 0.69 PPARA (0.33) TSHRRORC
SCHEMBL4418368 0.69 CA2 (0.34) GABRA1GABRB2CA2TSHR
SCHEMBL13954295 0.69 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL9249443 0.68 ALDH1A1 (0.40) GABRA1GABRB2CA2LMNACYP1A2
SCHEMBL13387480 0.68 ALOX5 (0.36) CYP3A4
SCHEMBL9988540 0.67 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2FAAH

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
CN-116848467-A Photosensitive resin composition, cured film, and semiconductor device 住友电木株式会社 2023-10-03 CN disclosed