SCHEMBL5022994

SCHEMBL5022994

CC(C(=O)O)C1Cc2ccccc2OC1(O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSP90AB1 P08238 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32

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
SCHEMBL7270775 0.73 HPGD (0.42) GRM7SMN1; SMN2TSHRLMNAHPGD
SCHEMBL25762234 0.73 HPGD (0.42) GRM7SMN1; SMN2TSHRLMNAHPGD
SCHEMBL5914697 0.71 MAOB (0.38) TSHRHPGD
SCHEMBL30146748 0.70 MAOA (0.39) TSHRHPGD
SCHEMBL7557445 0.70 MAOA (0.39) TSHRHPGD
SCHEMBL29615809 0.69 NFKB1 (0.39) CYP3A4HSP90AB1MAPT
SCHEMBL3283381 0.69 NFKB1 (0.39) CYP3A4HSP90AB1MAPT
SCHEMBL5022990 0.69 HTT (0.43) SMN1; SMN2TSHRHPGDMEN1KMT2A
SCHEMBL10137660 0.68 GRM7 (0.47) GRM7GAAMAPT
SCHEMBL14900911 0.68 GRM7 (0.47) GRM7GAAMAPT

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-1931995-A2 METHODS FOR THE DIAGNOSIS OF COLORECTAL CANCER AND OVARIAN CANCER HEALTH STATES Phenomenome Discoveries Inc. (CA) 2008-06-18 EP disclosed
WO-2007030928-A2 METHOD FOR THE DIAGNOSIS OF COLORECTAL CANCER AND OVARIAN CANCER BY THE MEASUREMENT OF VITAMIN E-RELATED METABOLITES PHENOMENOME DISCOVERIES INC. (CA) 2007-03-22 WO disclosed