SCHEMBL8378909

SCHEMBL8378909

CCCCOCN(C(=O)CCl)c1ccccc1CC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.76
MEN1 O00255 1/20 0.76
KMT2A Q03164 1/20 0.76
ALDH1A1 P00352 6/20 0.52
TP53 P04637 4/20 0.52
CYP3A4 P08684 2/20 0.52
NR1I2 O75469 1/20 0.52
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
PAX8 Q06710 3/20 0.47
JAK2 O60674 1/20 0.47
NPSR1 Q6W5P4 1/20 0.41
GPX4 P36969 1/20 0.40
TSHR P16473 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
RECQL P46063 1/20 0.38
RNF4 P78317 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9863632 0.87 ALDH1A1 (0.66) TDP1MEN1KMT2AALDH1A1TP53
Butachlor SCHEMBL4891145 0.86 TDP1 (1.00) TDP1MEN1KMT2AALDH1A1TP53
Butachlor SCHEMBL65784 0.86 TDP1 (1.00) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL9205787 0.85 TDP1 (0.59) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL9460016 0.85 TDP1 (0.62) TDP1MEN1KMT2AALDH1A1TP53
Butachlor SCHEMBL15917627 0.84 TDP1 (0.74) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL4339458 0.82 TP53 (0.60) TDP1MEN1KMT2AALDH1A1TP53
Butachlor SCHEMBL11052762 0.82 TDP1 (0.90) TDP1MEN1KMT2AALDH1A1TP53
Butachlor SCHEMBL17110610 0.81 TDP1 (0.88) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL6054206 0.81 TDP1 (0.54) TDP1MEN1KMT2AALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0613618-B1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID CO (US) 1997-04-16 EP claimed
US-5407897-A Plant safening agents AMERICAN CYANAMID COMPANY (US) 1995-04-18 US claimed
EP-0613618-A1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID COMPANY (US) 1994-09-07 EP claimed
EP-0716073-B1 Process for safening herbicides in cereal crops using 5-aryloxy-1,2-(disubstituted) benzene compounds AMERICAN CYANAMID CO (US) 1999-03-31 EP disclosed
US-5696050-A APPLYING TO CROP PLANT, SEED OR SURROUNDING SOIL OR WATER ANTIDOTAL AMOUNT OF PLANT SAFENING AGENT AMERICAN CYANAMID COMPANY (US) 1997-12-09 US disclosed
EP-0613618-B1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID CO (US) 1997-04-16 EP disclosed
US-5596124-A FOR USE WITH CEREAL CROPS AMERICAN CYANAMID COMPANY (US) 1997-01-21 US disclosed
EP-0716073-A1 Process for safening herbicides in cereal crops using 5-aryloxy-1,2-(disubstituted) benzene compounds American Cyanamid Company (US) 1996-06-12 EP disclosed
US-5516918-A PLANT SAFTENING AGENTS USING BENZOPYRAN-4-ACETIC ACIDS OR BENZOTHIOPYRAN-4-ACETIC ACIDS AMERICAN CYANAMID COMPANY (US) 1996-05-14 US disclosed
US-5407897-A Plant safening agents AMERICAN CYANAMID COMPANY (US) 1995-04-18 US disclosed
EP-0613618-A1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID COMPANY (US) 1994-09-07 EP disclosed