SCHEMBL6904733

SCHEMBL6904733

NCCCCC(NC(=O)CCCCC1CCSS1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ TARDBP Q13148 2/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ NR1I2 O75469 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ ACHE P22303 1/20 0.52
▸ APEX1 P27695 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ SAE1 Q9UBE0 1/20 0.52
▸ UBA2 Q9UBT2 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL17265765 0.88 HSD17B10 (0.66) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL8517021 0.88 HSD17B10 (0.66) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL22652158 0.87 KMT2A (0.64) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL8521626 0.87 HSD17B10 (0.63) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL17265768 0.87 HSD17B10 (0.63) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL17265749 0.87 HSD17B10 (0.63) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL8506279 0.87 HSD17B10 (0.63) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL12972668 0.86 KMT2A (0.50) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL15249732 0.86 HSD17B10 (0.55) HSD17B10KMT2ATARDBPCYP2C9MEN1
SCHEMBL17268340 0.86 HSD17B10 (0.55) HSD17B10KMT2ATARDBPCYP2C9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040018996-A1 Unit dosage forms for the treatment of herpes simplex CHRONORX, LLC (US) 2004-01-29 — — US claimed
US-20020197313-A1 Unit dosage forms for the treatment of herpes simplex CHRONORX, LLC (US) 2002-12-26 — — US claimed
US-20010031737-A1 Unit dosage forms for the treatment of herpes simplex RICHARDSON KENNETH T (US) 2001-10-18 — — US claimed
US-6231889-B1 THIOL GLUTATHIONE WITH METALS CHRONORX, LLC 2001-05-15 — — US claimed
US-6207190-B1 SYNERGISTIC MIXTURE TO REDUCE OCULAR PRESSURE AND IMPROVE VASCULAR HEALTH COMPRISING FOLIC ACID, A MAGNESIUM SALT, ALPHA-TOCOPHEROL, ASCORBATE AND ALPHA-LIPOIC ACID CHRONORX, LLC 2001-03-27 — — US claimed
US-6207190-B1 SYNERGISTIC MIXTURE TO REDUCE OCULAR PRESSURE AND IMPROVE VASCULAR HEALTH COMPRISING FOLIC ACID, A MAGNESIUM SALT, ALPHA-TOCOPHEROL, ASCORBATE AND ALPHA-LIPOIC ACID CHRONORX, LLC 2001-03-27 — — US disclosed
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