SCHEMBL1684068

SCHEMBL1684068

[CH2]CCC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC15A1 P46059 2/20 0.72
▸ LTA4H P09960 1/20 0.68
▸ ALPI P09923 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ PTGS1 P23219 1/20 0.61
▸ XIAP P98170 1/20 0.61
▸ SLC7A5 Q01650 1/20 0.61
▸ HDAC8 Q9BY41 2/20 0.51
▸ CTSC P53634 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ SLC1A3 P43003 2/20 0.49
▸ SLC1A2 P43004 2/20 0.49
▸ SLC1A1 P43005 2/20 0.49
▸ ACE P12821 1/20 0.48
▸ CYP1A2 P05177 1/20 0.46
▸ EPHX1 P07099 1/20 0.45

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
SCHEMBL2186466 0.87 LTA4H (0.69) SLC15A1LTA4HALPIPKMPTGS1
SCHEMBL11124563 0.84 SLC15A1 (1.00) SLC15A1LTA4HALPIPKMPTGS1
SCHEMBL11124557 0.84 SLC15A1 (1.00) SLC15A1LTA4HALPIPKMPTGS1
SCHEMBL11124554 0.84 SLC15A1 (1.00) SLC15A1LTA4HALPIPKMPTGS1
SCHEMBL12433005 0.82 SLC15A1 (0.72) SLC15A1LTA4HALPIPKMPTGS1
SCHEMBL20630639 0.82 SLC15A1 (0.72) SLC15A1LTA4HALPIPKMPTGS1
Hydrochloric Acid SCHEMBL11123747 0.82 SLC15A1 (0.96) SLC15A1LTA4HALPIPKMPTGS1
Hydrochloric Acid SCHEMBL11123750 0.82 SLC15A1 (0.96) SLC15A1LTA4HALPIPKMPTGS1
Hydrochloric Acid SCHEMBL11123752 0.82 SLC15A1 (0.96) SLC15A1LTA4HALPIPKMPTGS1
SCHEMBL15244990 0.82 SLC15A1 (0.72) SLC15A1LTA4HALPIPKMPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105451716-A Heat stable dry powder pharmaceutical compositions and methods MANNKIND CORP 2016-03-30 — — CN disclosed
US-9000036-B2 Compositions and methods for targeting of treating neoplasms Yu, Baofa (US) 2015-04-07 — — US disclosed
US-20140037695-A1 COMPOSITIONS AND METHODS FOR TARGETING OF TREATING NEOPLASMS YU, BAOFA 2014-02-06 — — US disclosed
US-8501243-B2 Targeting cancer therapy combination YU, BAOFA 2013-08-06 — — US disclosed
US-7927612-B2 Mixture of an oxidizing agent or a reducing agent, a protein denaturing agent, and a hapten; can be used with other anticancer treatments such as radiotherapy, chemotherapy; coagulate tumors and enhance inflammatory response against systemic tumors at multiple sites Yu, Baofa (US) 2011-04-19 — — US disclosed
CN-101951985-A Device for closing atrial septal defects MICHAEL AFREMOV 2011-01-19 — — CN disclosed
US-20100104660-A1 COMPOSITION AND METHOD FOR TREATING TUMOR YU, BAOFA 2010-04-29 — — US disclosed
US-20050118187-A1 Combinations and methods for treating neoplasms YU, BAOFA 2005-06-02 — — US disclosed
US-6811788-B2 ONE OR MORE HAPTENS AND COAGULATION AGENTS OR TREATMENTS, ALONE OR IN COMBINATION WITH OTHER ANTI-NEOPLASTIC AGENTS OR TREATMENTS Yu, Baofa 2004-11-02 — — US disclosed
CN-1186502-A Compositions and methods for inhibiting thrombogenesis HAMILTON CIVIC HOSPITALS RES (CA) 1998-07-01 — — CN disclosed
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