SCHEMBL8845672

SCHEMBL8845672

COc1ccc(/C=C(\Cl)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 2/20 0.55
TRPA1 O75762 1/20 0.53
CYP3A4 P08684 2/20 0.53
NFKB1 P19838 2/20 0.53
BCHE P06276 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
LMNA P02545 1/20 0.49
PLAU P00749 1/20 0.48
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
APEX1 P27695 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL8845678 1.00 MAPT (0.55) MAPTALDH1A1KDM4EHPGDTRPA1
SCHEMBL8916304 0.93 ALDH1A1 (0.55) MAPTALDH1A1KDM4EHPGDTRPA1
SCHEMBL8916301 0.93 ALDH1A1 (0.55) MAPTALDH1A1KDM4EHPGDTRPA1
SCHEMBL13579994 0.91 KDM4E (0.66) MAPTALDH1A1KDM4EHPGDCYP3A4
SCHEMBL7336089 0.85 PLAU (0.59) ALDH1A1KDM4ETRPA1CYP3A4NFKB1
SCHEMBL7343141 0.85 PLAU (0.59) ALDH1A1KDM4ETRPA1CYP3A4NFKB1
SCHEMBL4465918 0.83 MAPT (0.56) MAPTALDH1A1KDM4EHPGDCYP3A4
SCHEMBL4465915 0.83 MAPT (0.56) MAPTALDH1A1KDM4EHPGDCYP3A4
SCHEMBL6065194 0.80 PLAU (0.50) MAPTALDH1A1KDM4EHPGDTRPA1
SCHEMBL6065195 0.80 PLAU (0.50) MAPTALDH1A1KDM4EHPGDTRPA1

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-5663207-A ADMINISTERING TO INHIBIT DEVELOPMENT OF BREAST TUMOR RESEARCH CORPORATION TECHNOLOGIES (US) 1997-09-02 US disclosed
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-5397802-A Gem-dichlorocyclopropanes as antitumor agents RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-03-14 US disclosed
US-4879315-A Cyclopropyl analogs as anti-estrogenic, anti-tumor and female fertility agents THE BOARD OF REGENTS FOR THE UNIVERSITY OF OKLAHOMA (US) 1989-11-07 US disclosed