SCHEMBL7728093

SCHEMBL7728093

COc1cccc2c1C=CC(c1ccc(-c3ccccc3)cc1)(c1ccc(-c3ccccc3)cc1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.39
BCHE P06276 6/20 0.39
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 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
SCHEMBL4451118 0.99 ACHE (0.39) ACHEBCHEALDH1A1USP2LMNA
SCHEMBL7118273 0.92 ACHE (0.43) ACHEBCHEALDH1A1CA12CA1
SCHEMBL7455420 0.77 ACHE (0.37) ACHEBCHEALDH1A1SLC6A3
SCHEMBL9391964 0.76 ACHE (0.38) ACHEBCHEALDH1A1LMNACA12
SCHEMBL8133774 0.74 PRCP (0.34) KMT2AKDM4E
SCHEMBL6788081 0.69 DRD2 (0.31) GAA
SCHEMBL7229672 0.69 SIGMAR1 (0.38) ALDH1A1SLC6A4MEN1KMT2A
SCHEMBL7021746 0.67 MAOB (0.33) ACHESLC6A4SLC6A3MEN1POLB
SCHEMBL22568912 0.64 ACHE (0.47) ACHEBCHE
SCHEMBL8729417 0.63 ACHE (0.45) ACHEBCHE

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-6337409-B1 3,3-DISUBSTITUTED NAPHTHOPYRAN; COLOR RESPONSE UPON ULTRAVIOLET LIGHT EXPOSURE EXTENDS TO ORANGE, REDDISH-ORANGE OR PURPLE; BATHYCHROMIC SHIFT OF MAXIMUM ACTIVATED WAVELENGTH; PLASTIC OPHTHALMIC LENSES VISION-EASE LENS, INC. 2002-01-08 US disclosed