SCHEMBL9843565

SCHEMBL9843565

CC1(C)CC(C)(c2ccccc2O)c2cccc(O)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
ACHE P22303 1/20 0.35
OPRD1 P41143 3/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
TRPA1 O75762 1/20 0.33
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
CA12 O43570 1/20 0.32
GMNN O75496 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EGFR P00533 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
FYN P06241 1/20 0.32

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
SCHEMBL9843567 0.85 TP53 (0.40) TP53CYP1A2ACHEOPRD1OPRM1
SCHEMBL11161161 0.80 ACHE (0.41) TP53CYP1A2ACHEOPRD1OPRM1
SCHEMBL4465971 0.79 TP53 (0.35) TP53CYP1A2ACHEOPRD1OPRM1
SCHEMBL7775784 0.77 TRPA1 (0.38) TP53CYP1A2ACHETRPA1L3MBTL1
SCHEMBL7105170 0.76 TRPA1 (0.41) TP53CYP1A2ACHEOPRD1OPRM1
SCHEMBL8000482 0.76 LMNA (0.38) ACHEOPRD1POLBHPGDALDH1A1
SCHEMBL11156773 0.75 MEN1 (0.40) TP53CYP1A2ACHESMN1; SMN2ALDH1A1
SCHEMBL4455636 0.71 TP53 (0.39) TP53CYP1A2ACHEOPRD1OPRM1
SCHEMBL29740745 0.71 TP53 (0.39) TP53CYP1A2ACHEOPRD1OPRM1
SCHEMBL9638975 0.70 ESR1 (0.35) TP53CYP1A2ACHESMN1; SMN2ALDH1A1

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-0445819-A2 Positive type photoresist composition FUJI PHOTO FILM CO., LTD. (JP) 1991-09-11 EP disclosed
US-4418220-A Novel indene compound and novel process for producing indene compounds MITSUI TOATSU CHEMICALS INC. (JP) 1983-11-29 US disclosed
US-4366328-A HEAT DECOMPOSITION OF A 1,1,3-TRIMETHYL, 3-HYDROXYPHENYL, HYDROXYINDANE USING AN ACID OR BASIC CATALYST; DEARYLATION; AROMATIZATION MITSUI TOATSU CHEMICALS, INC. (JP) 1982-12-28 US disclosed