SCHEMBL6522801

SCHEMBL6522801

[C]#Cc1ccc(C=C)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.58
▸ TSHR P16473 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.38
▸ HDAC8 Q9BY41 1/20 0.37
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ TP53 P04637 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
SCHEMBL473081 0.76 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HDAC8CHRNB2
SCHEMBL7639 0.76 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HDAC8CHRNB2
SCHEMBL8767071 0.76 ALDH1A1 (0.61) ALDH1A1TSHRTDP1HDAC8CHRNB2
SCHEMBL1738978 0.74 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HDAC8CHRNB2
SCHEMBL127502 0.74 ALDH1A1 (0.58) ALDH1A1TSHR
SCHEMBL207817 0.74 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HDAC8CHRNB2
Hydrochloric Acid SCHEMBL23581954 0.73 ALDH1A1 (0.92) ALDH1A1TSHRTDP1HDAC8CHRNB2
Water SCHEMBL20378930 0.73 ALDH1A1 (0.92) ALDH1A1TSHRTDP1HDAC8CHRNB2
Ethylene SCHEMBL7955374 0.73 ALDH1A1 (0.92) ALDH1A1TSHRTDP1HDAC8CHRNB2
SCHEMBL22496003 0.73 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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