SCHEMBL8845461

SCHEMBL8845461

COc1ccc([C@@H]2[C@H](c3ccccc3)C2(Cl)Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
CA4 P22748 1/20 0.48
LTA4H P09960 2/20 0.47
ALDH1A1 P00352 2/20 0.46
EDNRA P25101 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.45
MAOA P21397 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
PTGS2 P35354 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EDNRB P24530 1/20 0.44
HSD11B1 P28845 1/20 0.43
TRPA1 O75762 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL8845466 1.00 MAPT (0.56) MAPTCA4LTA4HALDH1A1EDNRA
SCHEMBL8913809 1.00 MAPT (0.56) MAPTCA4LTA4HALDH1A1EDNRA
SCHEMBL4336115 1.00 MAPT (0.56) MAPTCA4LTA4HALDH1A1EDNRA
SCHEMBL8913802 1.00 MAPT (0.56) MAPTCA4LTA4HALDH1A1EDNRA
SCHEMBL8845428 0.92 CA1 (0.50) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL8845424 0.92 CA1 (0.50) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL20076842 0.85 ACHE (0.58) MAPTALDH1A1MEN1KMT2AMAOA
SCHEMBL8913796 0.84 MAOB (0.50) MAPTLTA4HMEN1KMT2AMAOA
SCHEMBL8913779 0.84 MAOB (0.50) MAPTLTA4HMEN1KMT2AMAOA
SCHEMBL8913782 0.84 MAOB (0.50) MAPTLTA4HMEN1KMT2AMAOA

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-5658927-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-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