SCHEMBL20196974

SCHEMBL20196974

CCOC(=O)C(C)CCCCCc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.47
▸ PPARG P37231 2/20 0.45
▸ EPHX2 P34913 3/20 0.45
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ KCNH2 Q12809 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL11203948 0.87 PPARA (0.48) PPARAPPARGEPHX2HDAC3HDAC4
SCHEMBL10383314 0.87 PPARA (0.48) PPARAPPARGEPHX2HDAC3HDAC4
SCHEMBL10419405 0.86 PPARA (0.47) PPARAPPARGEPHX2HDAC3HDAC4
SCHEMBL20196995 0.86 LTB4R (0.39) PPARAALDH1A1
SCHEMBL11205312 0.84 PPARA (0.52) PPARAPPARGEPHX2HDAC3HDAC4
SCHEMBL10419197 0.84 PPARA (0.46) PPARAPPARGEPHX2HDAC3HDAC4
SCHEMBL10384991 0.84 PPARA (0.52) PPARAPPARGEPHX2HDAC3HDAC4
Hydrochloric Acid SCHEMBL10419505 0.84 SPHK1 (0.46) PPARAPPARGEPHX2HDAC3HDAC4
SCHEMBL28578770 0.84 SMN1; SMN2 (0.52) MAPTLMNATDP1ALOX5
SCHEMBL10419279 0.83 PPARA (0.45) PPARAPPARGEPHX2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 — — EP disclosed
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