SCHEMBL8845489

SCHEMBL8845489

COCCOc1ccc(C=Cc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.65
CHRNB4 P30926 6/20 0.65
CHRNA3 P32297 6/20 0.65
CHRNA10 Q9GZZ6 6/20 0.65
CHRNA9 Q9UGM1 6/20 0.65
RELA Q04206 1/20 0.65
CYP1A2 P05177 2/20 0.61
MAPT P10636 1/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
TP53 P04637 1/20 0.61
CYP2D6 P10635 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
KMT2A Q03164 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TRPA1 O75762 1/20 0.60
CHRNB2 P17787 3/20 0.59
CHRNA4 P43681 3/20 0.59

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
SCHEMBL8845477 1.00 CHRNA7 (0.65) CHRNA7CHRNB4CHRNA3CHRNA10CHRNA9
SCHEMBL20024696 0.92 AHR (0.56) CHRNA7CHRNB4CHRNA3CHRNA10CHRNA9
SCHEMBL17609108 0.91 CHRNA7 (0.63) CHRNA7CHRNB4CHRNA3CHRNA10CHRNA9
SCHEMBL17609109 0.91 CHRNA7 (0.63) CHRNA7CHRNB4CHRNA3CHRNA10CHRNA9
SCHEMBL10069015 0.87 APP (0.58) CHRNA7CHRNB4CHRNA3CHRNA10CHRNA9
SCHEMBL1618632 0.83 RELA (0.72) CHRNA7CHRNB4CHRNA3CHRNA10CHRNA9
SCHEMBL5741015 0.83 RELA (0.72) CHRNA7CHRNB4CHRNA3CHRNA10CHRNA9
SCHEMBL15080680 0.83 ALDH1A1 (0.59) CHRNA7CHRNB4CHRNA3CHRNA10CHRNA9
SCHEMBL20024698 0.82 AHR (0.59) CHRNA7CHRNB4CHRNA3CHRNA10CHRNA9
SCHEMBL213738 0.82 KCNA3 (0.64) CHRNA7CHRNB4CHRNA3MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658914-A ANTIESTROGENS, ANTITUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES (US) 1997-08-19 US disclosed
US-5658951-A ANTIESTROGENS, ANTITUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES (US) 1997-08-19 US disclosed
US-5658927-A ANTIESTROGENS, ANTITUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES (US) 1997-08-19 US disclosed
US-5422367-A A hormon inhibitors and for inhibiting the development of an estrogen-dependent tumor RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-06-06 US disclosed
US-5324736-A Diphenylcyclopropyl analogs as antiestrogenic and antitumor agents RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-06-28 US disclosed
US-5098903-A Halocyclopropanes BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 1992-03-24 US disclosed