SCHEMBL8003111

SCHEMBL8003111

[CH2]OC(=O)C(CC)CCCC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.68
CA1 P00915 4/20 0.68
MAPK1 P28482 2/20 0.57
TSHR P16473 3/20 0.43
ATM Q13315 2/20 0.43
GAA P10253 1/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
USP2 O75604 1/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL17199809 0.86 CA2 (0.55) CA2CA1MAPK1SLC1A2SLC1A1
SCHEMBL17199801 0.83 CA2 (0.52) CA2CA1SLC1A2SLC1A1MAPT
SCHEMBL240950 0.83 CA2 (0.73) CA2CA1MAPK1TSHRATM
SCHEMBL21924959 0.83 CA2 (0.73) CA2CA1MAPK1TSHRATM
SCHEMBL11416554 0.83 CA2 (0.73) CA2CA1MAPK1TSHRATM
SCHEMBL631533 0.83 CA2 (0.73) CA2CA1MAPK1TSHRATM
SCHEMBL3078724 0.82
SCHEMBL4396330 0.82 CA2 (0.66) CA2CA1MAPK1TSHRATM
Ethylene SCHEMBL8349438 0.82 CA2 (0.66) CA2CA1MAPK1TSHRATM
Ethylene SCHEMBL8346683 0.82 CA2 (0.66) CA2CA1MAPK1TSHRATM

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858455-A4 4-OXA AND 4-THIA STEROIDS MERCK & CO INC (US) 2000-04-12 EP claimed
US-5998464-A 4-Oxa and 4-thia steroids MERCK & CO., INC. (US) 1999-12-07 US claimed
US-5817802-A IN IONIZING MEDIUM WITH A TRIALKYLSILANE MERCK & CO., INC. (US) 1998-10-06 US claimed
EP-0858455-A1 4-OXA AND 4-THIA STEROIDS Merck & Co., Inc. (US) 1998-08-19 EP claimed
US-5777134-A 4-oxa and 4-thia steriods MERCK & CO., INC. (US) 1998-07-07 US claimed
US-5696266-A HYDROGENATING DELTA-5-STEROIDAL ENELACTAM DISSOLVED IN SOLVENT IN PRESENCE OF RHODIUM CATALYST MERCK & CO., INC. (US) 1997-12-09 US claimed
WO-1997015564-A1 4-OXA AND 4-THIA STEROIDS MERCK & CO., INC. (US) 1997-05-01 WO claimed
WO-1996007643-A1 PROCESS FOR THE STEREOSELECTIVE REDUCTION OF STEROID ENELACTAMS MERCK & CO., INC. (US) 1996-03-14 WO claimed
EP-3279292-B1 LUBRICANT OIL COMPOSITION AND INTERNAL-COMBUSTION-ENGINE FRICTION REDUCTION METHOD IDEMITSU KOSAN CO (JP) 2024-05-01 EP disclosed
US-20230051184-A1 LUBRICATING OIL COMPOSITION IDEMITSU KOSAN CO.,LTD. (JP) 2023-02-16 US disclosed
CN-114846125-A Lubricating oil composition 出光兴产株式会社 2022-08-02 CN disclosed
CN-108848672-B Lubricating oil composition for engine equipped with supercharging mechanism and method for producing the lubricating oil composition 出光兴产株式会社 2022-03-01 CN disclosed
WO-2021132518-A1 LUBRICATING OIL COMPOSITION 出光興産株式会社 2021-07-01 WO disclosed
US-10865360-B2 Lubricating oil composition for engine equipped with supercharging mechanism, method for suppressing low-speed pre-ignition in engine equipped with supercharging mechanism using lubricating oil composition, and method for manufacturing lubricating oil composition IDEMITSU KOSAN CO., LTD. (JP) 2020-12-15 US disclosed
US-5932559-A Treatment of hyperandrogenic conditions MERCK & CO., INC. (US) 1999-08-03 US disclosed
US-5817802-A IN IONIZING MEDIUM WITH A TRIALKYLSILANE MERCK & CO., INC. (US) 1998-10-06 US disclosed
US-5777134-A 4-oxa and 4-thia steriods MERCK & CO., INC. (US) 1998-07-07 US disclosed
US-5756480-A Treatment of hyperandrogenic conditions MERCK & CO., INC. (US) 1998-05-26 US disclosed
US-5696266-A HYDROGENATING DELTA-5-STEROIDAL ENELACTAM DISSOLVED IN SOLVENT IN PRESENCE OF RHODIUM CATALYST MERCK & CO., INC. (US) 1997-12-09 US disclosed
WO-1996007643-A1 PROCESS FOR THE STEREOSELECTIVE REDUCTION OF STEROID ENELACTAMS MERCK & CO., INC. (US) 1996-03-14 WO disclosed