SCHEMBL6579679

SCHEMBL6579679

Cc1cccc(C)c1COCC1CO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
GLA P06280 1/20 0.51
TSHR P16473 5/20 0.46
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HIF1A Q16665 2/20 0.46
CYP3A4 P08684 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 1/20 0.41
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
PPARG P37231 1/20 0.38
LMNA P02545 2/20 0.34
PKM P14618 2/20 0.34
GAA P10253 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 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
SCHEMBL12431100 0.81 TSHR (0.41) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL28407405 0.81 ALDH1A1 (0.56) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL6577504 0.81 ALDH1A1 (0.55) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL3848081 0.81 ALDH1A1 (0.55) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL10844480 0.80 SMN1; SMN2 (0.44) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL3671558 0.78 ALDH1A1 (0.52) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL865078 0.77 CYP1A2 (0.41) ALDH1A1TSHRCYP3A4CYP1A2LMNA
SCHEMBL728307 0.76 ALDH1A1 (0.50) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL730323 0.76 TSHR (0.52) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL14397248 0.76 TSHR (0.52) ALDH1A1GLATSHRTP53SMN1; SMN2

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-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 EP claimed