SCHEMBL10929017

SCHEMBL10929017

COC(=O)CCCCCCC(Br)C(=O)OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.68
TSHR P16473 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 3/20 0.46
ALDH1A1 P00352 1/20 0.46
PABPC1 P11940 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
KMT2A Q03164 1/20 0.39
PPARG P37231 2/20 0.39
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.38
DGKA P23743 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL9154081 0.92 ZDHHC7 (0.61) ZDHHC7TSHRL3MBTL1LMNAALDH1A1
SCHEMBL27837692 0.88 ZDHHC7 (0.84) ZDHHC7TSHRL3MBTL1LMNALCK
SCHEMBL1415798 0.86 ZDHHC7 (0.80) ZDHHC7TSHRLMNALCKPPARD
SCHEMBL28812350 0.85 ZDHHC7 (0.68) ZDHHC7TSHRLMNAALDH1A1LCK
SCHEMBL16860506 0.85 ZDHHC7 (0.72) ZDHHC7TSHRL3MBTL1LMNALCK
SCHEMBL29589922 0.84 ZDHHC7 (0.55) ZDHHC7TSHRLMNAALDH1A1KMT2A
SCHEMBL12358675 0.84 ZDHHC7 (0.55) ZDHHC7TSHRLMNAALDH1A1KMT2A
SCHEMBL868172 0.84 ZDHHC7 (0.55) ZDHHC7TSHRLMNAALDH1A1KMT2A
SCHEMBL7898672 0.83 LCK (0.55) ZDHHC7TSHRL3MBTL1LMNAALDH1A1
SCHEMBL7898668 0.83 LCK (0.55) ZDHHC7TSHRL3MBTL1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4532138-A Thiazolidin-2-one analogs SYNTEX (U.S.A.) INC. (US) 1985-07-30 US disclosed
EP-0139265-A2 Imidazolidine prostaglandins SYNTEX (U.S.A.) INC. (US) 1985-05-02 EP disclosed
US-4496577-A INHIBITS BLOOD PLATELET AGGREGATION; ANTICOAGULANTS SYNTEX (U.S.A.) INC. (US) 1985-01-29 US disclosed
US-4410526-A ANTICOAGULANTS SYNTEX (U.S.A.) INC. (US) 1983-10-18 US disclosed
EP-0072872-A1 1-Hydroxymethyl-prosten-1-ol derivatives AMERICAN CYANAMID COMPANY (US) 1983-03-02 EP disclosed
US-4310700-A 1-Hydroxylmethyl-11-deoxy-16-hydroxy-prosten-1-ol-derivatives AMERICAN CYANAMID COMPANY (US) 1982-01-12 US disclosed
US-4291175-A PROSTAGLANDINS USEFUL AS HYPOTENSIVE AGENTS, GASTRIC SECRETORY AND PLATELET AGGREGATION INHIBITORS, AND BRONCHODILATORS AMERICAN CYANAMID COMPANY (US) 1981-09-22 US disclosed
US-4291174-A PROSTAGLANDINS AMERICAN CYANAMID COMPANY (US) 1981-09-22 US disclosed
US-4289910-A PROSTAGLANDIN ANALOGS AMERICAN CYANAMID COMPANY (US) 1981-09-15 US disclosed
US-4288630-A HYPOTENSIVES, ANTISECRETORY, ANTICOAGULANTS, BRONCHODILATORS AMERICAN CYANAMID COMPANY (US) 1981-09-08 US disclosed
US-4288632-A HYPOTENSIVES, ANTISECRETORY, ANTICOAGULANTS, BRONCHODILATORS AMERICAN CYANAMID COMPANY (US) 1981-09-08 US disclosed
US-4288633-A PROSTAGLANDIN ANALOGS; ANTISECRETORY, HYPOTENSIVE, ANTICOAGULANT, BRONCHODILATING AMERICAN CYANAMID COMPANY (US) 1981-09-08 US disclosed
US-4288629-A PROSTAGLANDIN ANALOGS; HYPOTENSIVE, ANTISECRETORY, ANTICOAGULANT, BRONCHODILATING AMERICAN CYANAMID COMPANY (US) 1981-09-08 US disclosed
US-4155908-A PSORIASIS, ANTICOAGULANTS MERCK & CO., INC. (US) 1979-05-22 US disclosed
US-4128564-A 9-Thia- and oxothia- and 9-dioxothia-11,12-seco-prostaglandins MERCK & CO., INC. (US) 1978-12-05 US disclosed
US-4085125-A 9-Thia-, 9-oxothia-, and 9-dioxothia-11,12-seco-prostaglandins and processes MERCK & CO., INC. (US) 1978-04-18 US disclosed
US-4066675-A PSORIASIS, THROMBOSIS MERCK & CO., INC. (US) 1978-01-03 US disclosed