SCHEMBL9506729

SCHEMBL9506729

CCC(CC)C(CC)CCO

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 3/20 0.32
DPP4 P27487 1/20 0.30

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
SCHEMBL17951325 1.00 LMNA (0.42) LMNATHRBALDH1A1TSHRDPP4
SCHEMBL8901993 0.97 LMNA (0.43) LMNATHRBALDH1A1TSHRDPP4
SCHEMBL15800763 0.93 LMNA (0.42) LMNATHRBALDH1A1TSHRDPP4
SCHEMBL4445441 0.88 LMNA (0.50) LMNATHRBALDH1A1TSHR
SCHEMBL1054310 0.85 LMNA (0.37) LMNAALDH1A1TSHR
SCHEMBL4893457 0.83 SMN1; SMN2 (0.41) LMNAALDH1A1TSHR
SCHEMBL12678041 0.83 LMNA (0.36) LMNAALDH1A1TSHR
SCHEMBL1168877 0.83 LMNA (0.41) LMNATHRBALDH1A1TSHR
SCHEMBL25253843 0.83 LMNA (0.32) LMNA
SCHEMBL4276778 0.81 LMNA (0.50) LMNATHRBALDH1A1TSHR

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
WO-2014072101-A1 FABRIC CARE PRODUCT HENKEL AG & CO. KGAA (DE) 2014-05-15 WO claimed
US-5132006-A Alkali Metal Alcoholate HUELS AKTIENGESELLSCHAFT (DE) 1992-07-21 US claimed
WO-2014072101-A1 FABRIC CARE PRODUCT HENKEL AG & CO. KGAA (DE) 2014-05-15 WO disclosed
EP-0380782-B1 LIQUID DEHALOGENATION AGENTS HÜLS AKTIENGESELLSCHAFT (DE) 1993-06-09 EP disclosed
US-5132006-A Alkali Metal Alcoholate HUELS AKTIENGESELLSCHAFT (DE) 1992-07-21 US disclosed
EP-0380782-A1 Liquid dehalogenation agents HÜLS AKTIENGESELLSCHAFT (DE) 1990-08-08 EP disclosed