SCHEMBL7939095

SCHEMBL7939095

C(=C1CC1)c1ccccc1.CC1CC1=Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRNA7 P36544 1/20 0.40
CYP1A2 P05177 3/20 0.38
F3 P13726 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CYP19A1 P11511 2/20 0.36
CYP11B2 P19099 2/20 0.36
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 3/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL118039 0.90 CHRNB2 (0.46) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
Butadiene SCHEMBL4458837 0.82 HPGD (0.41) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
Bicarbonate SCHEMBL14660281 0.82 HPGD (0.41) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10632138 0.81 CYP1A2 (0.52) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL63597 0.81 CYP1A2 (0.52) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
Styrene SCHEMBL693301 0.81 ALDH1A1 (0.54) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
Styrene SCHEMBL4895288 0.81 ALDH1A1 (0.54) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
Styrene SCHEMBL16432075 0.81 ALDH1A1 (0.41) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10318726 0.80 HPGD (0.33) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
Silicate SCHEMBL11242395 0.79 HPGD (0.40) HPGDCHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248339-B1 ALCOHOL AND WATER-FREE INTIMATE BEAUTY CORPORATION 2001-06-19 US claimed
US-9562153-B2 Enhanced composition based on a homopolymer and/or polypropylene copolymer for manufacturing carbonated beverage caps INDELPRO, S.A. DE C.V. (MX) 2017-02-07 US disclosed
US-20160009909-A1 Enhanced Composition Based on a Homopolymer and/or Polypropylene Copolymer for Manufacturing and/or Making Carbonated Beverage Caps with Rigidity and Tightness Increased Features without the Need for Using Seals, and Manufacture Process INDELPRO, S.A. DE C.V. (MX) 2016-01-14 US disclosed