SCHEMBL6514299

SCHEMBL6514299

C=Cc1ccc(C#Cc2cc[c]cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ TSHR P16473 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.33
▸ FFAR1 O14842 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ APP P05067 1/20 0.32
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ CHRNA7 P36544 1/20 0.30
▸ CHRNA4 P43681 1/20 0.30

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
SCHEMBL28100998 0.81 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL93621 0.78 — —
SCHEMBL11883827 0.78 APP (0.44) APP
SCHEMBL2430307 0.77 ALDH1A1 (0.59) ALDH1A1TSHRFFAR1APP
SCHEMBL29062047 0.76 — —
SCHEMBL6317768 0.75 ALDH1A1 (0.55) ALDH1A1TSHRTDP1HDAC8
SCHEMBL6515287 0.74 ALDH1A1 (0.41) ALDH1A1TSHRFFAR1
SCHEMBL24384355 0.73 ALDH1A1 (0.52) ALDH1A1TSHRTDP1FFAR1HDAC8
SCHEMBL28331858 0.73 ALDH1A1 (0.52) ALDH1A1TSHRTDP1FFAR1HDAC8
Water SCHEMBL20378930 0.72 ALDH1A1 (0.92) ALDH1A1TSHRTDP1HDAC8CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6944047-B2 Variable-persistence molecular memory devices and methods of operation thereof NORTH CAROLINA STATE UNIVERSITY (US) 2005-09-13 — — US claimed
US-20040120180-A1 Variable-persistence molecular memory devices and methods of operation thereof NORTH CAROLINA STATE UNIVERSITY 2004-06-24 — — US claimed
US-6944047-B2 Variable-persistence molecular memory devices and methods of operation thereof NORTH CAROLINA STATE UNIVERSITY (US) 2005-09-13 — — US disclosed
US-20040120180-A1 Variable-persistence molecular memory devices and methods of operation thereof NORTH CAROLINA STATE UNIVERSITY 2004-06-24 — — US disclosed
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