SCHEMBL8846112

SCHEMBL8846112

CC(=O)Oc1ccc([C@H]2[C@@H](c3ccccc3)C2(Cl)Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.53
MAPT P10636 5/20 0.50
GAA P10253 3/20 0.50
ALDH1A1 P00352 1/20 0.50
HSP90AA1 P07900 1/20 0.50
LMNA P02545 2/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 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
SCHEMBL8913760 1.00 ELANE (0.53) ELANEMAPTGAAALDH1A1HSP90AA1
SCHEMBL8846105 1.00 ELANE (0.53) ELANEMAPTGAAALDH1A1HSP90AA1
SCHEMBL8846101 1.00 ELANE (0.53) ELANEMAPTGAAALDH1A1HSP90AA1
SCHEMBL8913776 1.00 ELANE (0.53) ELANEMAPTGAAALDH1A1HSP90AA1
SCHEMBL10575523 0.80 KDM4E (0.45) MAPTGAAALDH1A1LMNAMEN1
SCHEMBL6982352 0.78 ELANE (0.58) ELANEMAPTGAAALDH1A1HSP90AA1
SCHEMBL8913809 0.78 MAPT (0.56) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL8845461 0.78 MAPT (0.56) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL4336115 0.78 MAPT (0.56) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL8913802 0.78 MAPT (0.56) MAPTALDH1A1MEN1KMT2AMAPK1

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