SCHEMBL7109672

SCHEMBL7109672

C=COCC1(C(OC(=O)c2ccc(C(=O)O)cc2)C2(COC=C)CCCCC2)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.32
PDE5A O76074 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE1C Q14123 1/20 0.32
PDE3A Q14432 1/20 0.32
RARB P10826 4/20 0.31
RARG P13631 4/20 0.31
RARA P10276 3/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31

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
SCHEMBL5799937 0.77 ALDH1A1 (0.37) ALDH1A1L3MBTL1MAPTHTTRARB
SCHEMBL6532504 0.75 RARB (0.33) RARBRARGRARARXRARXRB
SCHEMBL132923 0.69 MAPT (0.42) ALDH1A1L3MBTL1MAPTHTTRARB
SCHEMBL3978749 0.68 TDP1 (0.41) ALDH1A1L3MBTL1LMNACYP1A2CYP2D6
SCHEMBL28669863 0.67 TP53 (0.38) ALDH1A1L3MBTL1MAPTHTTRARB
Cyclohexane SCHEMBL7643203 0.65 RXRA (0.46) ALDH1A1KMT2ARXRARXRBRXRG
SCHEMBL5859592 0.65 NR1H4 (0.35) ALDH1A1L3MBTL1MAPTLMNACYP1A2
SCHEMBL17183990 0.65 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPTHTTRARB
SCHEMBL10773147 0.65 TDP1 (0.46) ALDH1A1L3MBTL1MAPTHTTPDE4D
SCHEMBL14677748 0.64 MAPT (0.45) ALDH1A1MAPTRARBRARGRARA

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
US-6827325-B2 Shape memory polymer or alloy ophthalmic lens mold and methods of forming ophthalmic products JOHNSON & JOHNSON VISION CARE, INC. 2004-12-07 US claimed