SCHEMBL8864468

SCHEMBL8864468

O=C(O)CCCCCCCCCCCOc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.72
▸ HDAC1 Q13547 6/20 0.69
▸ HDAC2 Q92769 6/20 0.69
▸ KCNA3 P22001 1/20 0.64
▸ FFAR1 O14842 3/20 0.60
▸ HDAC3 O15379 3/20 0.60
▸ HDAC4 P56524 3/20 0.60
▸ HDAC7 Q8WUI4 3/20 0.60
▸ HDAC10 Q969S8 3/20 0.60
▸ HDAC11 Q96DB2 3/20 0.60
▸ HDAC8 Q9BY41 3/20 0.60
▸ HDAC6 Q9UBN7 3/20 0.60
▸ HDAC9 Q9UKV0 3/20 0.60
▸ HDAC5 Q9UQL6 3/20 0.60
▸ ALB P02768 1/20 0.58
▸ FFAR4 Q5NUL3 2/20 0.56

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
SCHEMBL712775 1.00 PPARA (0.72) PPARAHDAC1HDAC2KCNA3FFAR1
SCHEMBL6342300 1.00 PPARA (0.72) PPARAHDAC1HDAC2KCNA3FFAR1
SCHEMBL1139655 1.00 PPARA (0.72) PPARAHDAC1HDAC2KCNA3FFAR1
SCHEMBL503552 1.00 PPARA (0.72) PPARAHDAC1HDAC2KCNA3FFAR1
SCHEMBL11790866 1.00 PPARA (0.72) PPARAHDAC1HDAC2KCNA3FFAR1
SCHEMBL25228768 1.00 PPARA (0.72) PPARAHDAC1HDAC2KCNA3FFAR1
SCHEMBL557510 1.00 PPARA (0.72) PPARAHDAC1HDAC2KCNA3FFAR1
SCHEMBL11616532 1.00 PPARA (0.72) PPARAHDAC1HDAC2KCNA3FFAR1
SCHEMBL1008297 1.00 PPARA (0.72) PPARAHDAC1HDAC2KCNA3FFAR1
SCHEMBL1162023 0.98 PPARA (0.74) PPARAHDAC1HDAC2KCNA3FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525479-B1 Spicamycin derivatives and the use thereof KIRIN BREWERY (JP) 1997-11-05 — — EP disclosed
US-5631238-A ANTICARCINOGENIC AGENTS KIRIN BEER KABUSHIKI KAISHA (JP) 1997-05-20 — — US disclosed
US-5461036-A Treating colon, gastric, esophageal cancer KIRIN BEER KABUSHIKI KAISHA (JP) 1995-10-24 — — US disclosed
EP-0525479-A1 Spicamycin derivatives and the use thereof KIRIN BEER KABUSHIKI KAISHA (JP) 1993-02-03 — — EP disclosed
US-4097665-A Diacylnucleosides and process for preparing the same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1978-06-27 — — US disclosed
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