SCHEMBL17540718

SCHEMBL17540718

CC/C=C/C=C/CC/C=C/C/C=C/CC/C=C/CC/C=C/CCC(=O)O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.78
▸ PPARG P37231 6/20 0.78
▸ CYP19A1 P11511 5/20 0.78
▸ OXER1 Q8TDS5 4/20 0.78
▸ MAPT P10636 4/20 0.78
▸ FFAR1 O14842 4/20 0.78
▸ RXRA P19793 2/20 0.78
▸ PPARA Q07869 5/20 0.62
▸ PTGS1 P23219 5/20 0.61
▸ F7 P08709 4/20 0.61
▸ F3 P13726 4/20 0.61
▸ PPARD Q03181 4/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ ADORA3 P0DMS8 1/20 0.61
▸ L3MBTL1 Q9Y468 3/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ HPGD P15428 2/20 0.58

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
SCHEMBL17540719 1.00 ALDH1A1 (0.78) ALDH1A1PPARGCYP19A1OXER1MAPT
SCHEMBL6517333 0.94 ALDH1A1 (0.81) ALDH1A1PPARGCYP19A1OXER1MAPT
SCHEMBL21557476 0.94 ALDH1A1 (0.81) ALDH1A1PPARGCYP19A1OXER1MAPT
SCHEMBL12380530 0.94 ALDH1A1 (0.81) ALDH1A1PPARGCYP19A1OXER1MAPT
SCHEMBL15529526 0.94 ALDH1A1 (0.81) ALDH1A1PPARGCYP19A1OXER1MAPT
SCHEMBL24234956 0.94 ALDH1A1 (0.81) ALDH1A1PPARGCYP19A1OXER1MAPT
SCHEMBL22128525 0.94 ALDH1A1 (0.81) ALDH1A1PPARGCYP19A1OXER1MAPT
SCHEMBL6517329 0.94 ALDH1A1 (0.81) ALDH1A1PPARGCYP19A1OXER1MAPT
SCHEMBL31511869 0.94 ALDH1A1 (0.81) ALDH1A1PPARGCYP19A1OXER1MAPT
SCHEMBL28185188 0.94 ALDH1A1 (0.81) ALDH1A1PPARGCYP19A1OXER1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200155575-A1 PHARMACEUTICAL COMPOSITION AND METHODS LIPOCINE INC. (US) 2020-05-21 — — US disclosed
US-20190269700-A1 PHARMACEUTICAL COMPOSITION AND METHODS LIPOCINE INC. (US) 2019-09-05 — — US disclosed
US-20180104257-A1 (17-ß)-3-Oxoandrost-4-En-17-Yl Undecanoate Compositions and Methods of Their Preparation and Use LIPOCINE INC. (US) 2018-04-19 — — US disclosed
US-20180078568-A1 PHARMACEUTICAL COMPOSITION AND METHODS LIPOCINE INC. (US) 2018-03-22 — — US disclosed
EP-3185873-A1 PHARMACEUTICAL COMPOSITION AND METHODS Lipocine Inc. (US) 2017-07-05 — — EP disclosed
US-20160193225-A1 (17-ß)-3-OXOANDROST-4-EN-17-YL UNDECANOATE COMPOSITIONS AND METHODS OF THEIR PREPARATION AND USE LIPOCINE INC. (US) 2016-07-07 — — US disclosed
US-20160184324-A1 PHARMACEUTICAL COMPOSITION AND METHODS LIPOCINE INC. (US) 2016-06-30 — — US disclosed
WO-2016033536-A1 PHARMACEUTICAL COMPOSITION AND METHODS LIPOCINE INC. (US) 2016-03-03 — — WO disclosed
WO-2016033611-A1 (17-β)-3-OXOANDROST-4-EN-17-YL UNDECANOATE COMPOSITIONS AND METHODS OF THEIR PREPARATION AND USE LIPOCINE INC. (US) 2016-03-03 — — WO disclosed
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