SCHEMBL4940586

SCHEMBL4940586

CC(C)=CCCC(C)CCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.52
ALDH1A1 P00352 1/20 0.52
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TRPV1 Q8NER1 2/20 0.43
NFE2L2 Q16236 1/20 0.41

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
Citronellol SCHEMBL17580723 0.94 ALOX15 (0.64) ALOX15ALDH1A1ATMTDP1L3MBTL1
Citronellol SCHEMBL4406212 0.85 ALOX15 (0.60) ALOX15ALDH1A1ATMTDP1L3MBTL1
SCHEMBL1513209 0.83 ALOX15 (0.49) ALOX15ALDH1A1TSHRKDM4ENFE2L2
SCHEMBL1513158 0.83 ALOX15 (0.49) ALOX15ALDH1A1TDP1TSHRKDM4E
SCHEMBL1513207 0.83 ALOX15 (0.49) ALOX15ALDH1A1TSHRKDM4ENFE2L2
SCHEMBL4566250 0.83 ALOX15 (0.49) ALOX15ALDH1A1TSHRKDM4ENFE2L2
SCHEMBL1513160 0.83 ALOX15 (0.49) ALOX15ALDH1A1TDP1TSHRKDM4E
SCHEMBL4785593 0.81 TSHR (0.52) ALOX15ALDH1A1TSHRKDM4E
SCHEMBL1513202 0.81 LPL (0.46) ALOX15ALDH1A1TSHRKDM4ETRPV1
SCHEMBL1513203 0.81 LPL (0.46) ALOX15ALDH1A1TSHRKDM4ETRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008088314-A2 A COMPOSITION FOR THE TREATMENT AND PREVENTION OF PEPTIC ULCER MEDIGREEN BIOTECHNOLOGY CORP. (TW) 2008-07-24 WO disclosed
US-20080145409-A1 COMPOSITION FOR THE TREATMENT AND PREVENTION OF PEPTIC ULCER MEDIGREEN BIOTECHNOLOGY CORP. (TW) 2008-06-19 US disclosed