SCHEMBL4620514

SCHEMBL4620514

CC1(C)C2CC=C(CC(=O)C=O)C1C2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK1 P28482 3/20 0.47
CXCR3 P49682 11/20 0.45
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 2/20 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
SCHEMBL7950722 0.84 TSHR (0.51) TSHRKDM4EHTTTDP1MAPK1
SCHEMBL17204582 0.78 TSHR (0.48) TSHRKDM4EHTTTDP1MAPK1
SCHEMBL3505958 0.78 MAPK1 (0.51) TSHRKDM4EHTTTDP1MAPK1
SCHEMBL14484582 0.78 MAPK1 (0.51) TSHRKDM4EHTTTDP1MAPK1
SCHEMBL5495520 0.77 KDM4E (0.47) TSHRKDM4EHTTTDP1MAPK1
SCHEMBL9000551 0.76 TSHR (0.52) TSHRKDM4EHTTTDP1MAPK1
SCHEMBL5421039 0.75 TSHR (0.46) TSHRKDM4EHTTTDP1MAPK1
Myrtenol SCHEMBL24281940 0.75 TSHR (0.58) TSHRKDM4EHTTTDP1MAPK1
Myrtenol SCHEMBL14763830 0.75 TSHR (0.58) TSHRKDM4EHTTTDP1MAPK1
Myrtenol SCHEMBL155709 0.75 TSHR (0.58) TSHRKDM4EHTTTDP1MAPK1

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
EP-1890770-A2 PERSONAL CARE COMPOSITION COMPRISING A PERFUME BOOSTER ACCORD The Procter and Gamble Company (US) 2008-02-27 EP disclosed
WO-2006138726-A2 PERSONAL CARE COMPOSITION COMPRISING A PERFUME BOOSTER ACCORD THE PROCTER & GAMBLE COMPANY (US) 2006-12-28 WO disclosed