SCHEMBL10729588

SCHEMBL10729588

CC(C)c1ccc(CCc2ccc(C(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
GFER P55789 1/20 0.48
DHFR P00374 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PYCR1 P32322 1/20 0.45
FKBP1A P62942 1/20 0.44
TYR P14679 2/20 0.44
RAB9A P51151 2/20 0.43
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
NPC1 O15118 1/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
HTT P42858 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
SCHEMBL6546243 0.90 BCHE (0.51) IDO1GFERDHFRL3MBTL1ALDH1A1
SCHEMBL6548229 0.90 ALDH1A1 (0.57) IDO1L3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL21632798 0.88 ESR1 (0.64) IDO1LMNAESR1ESR2
SCHEMBL10140562 0.87 IDO1 (0.50) IDO1DHFRL3MBTL1ALDH1A1PYCR1
SCHEMBL597719 0.87 IDO1 (0.50) IDO1L3MBTL1ALDH1A1PYCR1FKBP1A
SCHEMBL1610104 0.85 IDO1 (0.48) IDO1DHFRL3MBTL1ALDH1A1PYCR1
SCHEMBL18463151 0.85 IDO1 (0.48) IDO1DHFRL3MBTL1ALDH1A1PYCR1
SCHEMBL12533387 0.85 IDO1 (0.48) IDO1DHFRL3MBTL1ALDH1A1PYCR1
SCHEMBL7461724 0.85 IDO1 (0.48) IDO1DHFRL3MBTL1ALDH1A1PYCR1
SCHEMBL717640 0.85 TAAR1 (0.56) IDO1GFERL3MBTL1ALDH1A1MAOB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567331-A Synthesis method of 1, 2-dithioethane compound and 1, 4-dithiane 河北北方学院 2024-02-20 CN disclosed
US-4695636-A Chromogenic dihydrofuropyridinones CIBA-GEIGY CORPORATION (US) 1987-09-22 US disclosed
US-4668790-A Chromogenic dihydrofuropyridinones CIBA-GEIGY CORPORATION (US) 1987-05-26 US disclosed
US-4587539-A Chromogenic dihydrofuropyridinones CIBA-GEIGY CORPORATION (US) 1986-05-06 US disclosed
US-4508897-A CONDENSATION OF AN ANILINE AND THE PRODUCT OF A QUINOLINIC ANHYDRI CIBA GEIGY CORPORATION (US) 1985-04-02 US disclosed