SCHEMBL7255305

SCHEMBL7255305

CCCc1ccc(C)cc1OCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
HSD17B10 Q99714 2/20 0.55
HPGD P15428 1/20 0.55
PTGDR2 Q9Y5Y4 5/20 0.52
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
LTB4R Q15722 2/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43

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
SCHEMBL5399676 0.84 TSHR (0.79) TSHRKDM4EALDH1A1HSD17B10HPGD
SCHEMBL7843044 0.84 PTGDR2 (0.59) TSHRKDM4EALDH1A1HSD17B10HPGD
SCHEMBL7848040 0.83 PTGDR2 (0.54) TSHRKDM4EPTGDR2GLAL3MBTL1
SCHEMBL17897050 0.83 PTGDR2 (0.54) TSHRKDM4EPTGDR2GLAL3MBTL1
SCHEMBL16952087 0.80 MAPT (0.45) TSHRKDM4EALDH1A1HSD17B10HPGD
SCHEMBL320418 0.80 PTGDR2 (0.66) TSHRKDM4EPTGDR2GLAL3MBTL1
SCHEMBL4576444 0.79 L3MBTL1 (0.66) TSHRKDM4EALDH1A1HPGDPTGDR2
SCHEMBL16342279 0.79 PTGDR2 (0.60) TSHRKDM4EPTGDR2GLAL3MBTL1
SCHEMBL3064143 0.78 TSHR (0.70) TSHRKDM4EALDH1A1HSD17B10PTGDR2
SCHEMBL14363092 0.78 L3MBTL1 (0.67) TSHRKDM4EALDH1A1PTGDR2GLA

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
WO-2003101406-A1 HOMO-CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2003-12-11 WO disclosed