SCHEMBL12704221

SCHEMBL12704221

C=C(CC(C)(C)C)N1CCCC1C(=O)CI

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PREP P48147 1/20 0.38
▸ POLB P06746 2/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ REN P00797 2/20 0.33
▸ ACE P12821 2/20 0.33

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
SCHEMBL18573595 0.83 LMNA (0.55) HSD17B10LMNACYP2C19RENACE
SCHEMBL18576765 0.80 HSD17B10 (0.36) HSD17B10LMNACYP2C19PREPPOLB
SCHEMBL2259135 0.75 HSD17B10 (0.56) HSD17B10LMNAPOLB
SCHEMBL26167163 0.73 LMNA (0.33) HSD17B10LMNACYP2C19POLBDPP4
SCHEMBL5469910 0.73 LMNA (0.46) HSD17B10LMNACYP2C19PREPREN
SCHEMBL20416167 0.70 KMT2A (0.40) POLBL3MBTL1
SCHEMBL4442776 0.69 CA12 (0.38) RENACE
SCHEMBL20221686 0.68 PREP (0.41) HSD17B10LMNACYP2C19PREPREN
SCHEMBL3085600 0.67 LMNA (0.58) HSD17B10LMNACYP2C19RENACE
SCHEMBL31122771 0.67 LMNA (0.58) HSD17B10LMNACYP2C19RENACE

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-2311798-A1 4-dedimethylamino tetracycline compounds Paratek Pharmaceuticals, Inc. (US) 2011-04-20 — — EP disclosed
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