SCHEMBL9489696

SCHEMBL9489696

CCOC(=O)CCCCCCC(Br)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 2/20 0.45
ALOX15 P16050 2/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ATM Q13315 1/20 0.45
DGKA P23743 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.43
LCK P06239 1/20 0.43
PPARD Q03181 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL9714798 1.00 ZDHHC7 (0.51) ZDHHC7KMT2ACYP1A2ALDH1A1TDP1
SCHEMBL27750312 0.98 KMT2A (0.50) ZDHHC7KMT2ACYP1A2ALDH1A1TDP1
SCHEMBL1674842 0.93 CYP1A2 (0.52) ZDHHC7KMT2ACYP1A2ALDH1A1TDP1
SCHEMBL21262163 0.93 CYP1A2 (0.52) ZDHHC7KMT2ACYP1A2ALDH1A1TDP1
SCHEMBL9620497 0.89 ZDHHC7 (0.62) ZDHHC7KMT2AALDH1A1TDP1ALOX15
SCHEMBL28979205 0.88 LCK (0.59) ZDHHC7KMT2ACYP1A2ALDH1A1TDP1
SCHEMBL1415326 0.87 ZDHHC7 (0.59) ZDHHC7KMT2AALDH1A1TDP1ALOX15
SCHEMBL21221190 0.86 LCK (0.56) ZDHHC7KMT2ACYP1A2ALDH1A1TDP1
SCHEMBL10929023 0.86 ZDHHC7 (0.51) ZDHHC7KMT2AALDH1A1TDP1TSHR
SCHEMBL11280098 0.86 ZDHHC7 (0.51) ZDHHC7KMT2AALDH1A1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284202-B1 SUBSTITUTED HYDANTOIN COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-03-10 EP disclosed
EP-0284202-A1 Substituted hydantoin compounds THE WELLCOME FOUNDATION LIMITED (GB) 1988-09-28 EP disclosed
EP-0126849-A1 Pharmacologically active N-amino hydantoin derivatives, their synthesis and intermediates THE WELLCOME FOUNDATION LIMITED (GB) 1984-12-05 EP disclosed
US-4341789-A ANTISECRETORY, ANTIAGGLOMERANTS, BRONCHODILATOR AND ANTIFERTILITY AGENTS BEECHAM GROUP LIMITED (GB) 1982-07-27 US disclosed
US-4299970-A CHEMICAL INTERMEDIATES FOR AZAPROSTAGLANDINS BEECHAM GROUP LIMITED (GB) 1981-11-10 US disclosed
US-4201864-A CHEMICAL INTERMEDIATES, PROSTAGLANDINS BEECHAM GROUP LIMITED (GB) 1980-05-06 US disclosed
US-4187312-A ANTISECRETORY, BRONCHODILATORS, ANTICOAGULANTS BEECHAM GROUP LIMITED (GB) 1980-02-05 US disclosed
US-4177283-A ANTISECRETORY, ANTICOAGULANT, BRONCHODILATOR BEECHAM GROUP LIMITED (GB) 1979-12-04 US disclosed
US-4156730-A CARBOXYALKYL-SUBSTITUTED PYRROLIDIN-3,5-DIONES BEECHAM GROUP LIMITED (GB) 1979-05-29 US disclosed
US-4138407-A ANTISECRETORY, BRONCHODILATOR, ANTICOAGULANT BEECHAM GROUP LIMITED (GB) 1979-02-06 US disclosed
US-4136190-A ANTISECRETORY BRONCHODILATORS, ANTICOAGULANTS, HYPOTENSIVE AGENTS BEECHAM GROUP LIMITED (GB) 1979-01-23 US disclosed
US-4119726-A ANTISECRETORY AGENTS, BRONCHODILATORS, ANTICOAGULANTS BEECHAM GROUP LIMITED (GB) 1978-10-10 US disclosed