SCHEMBL3395537

SCHEMBL3395537

CC[C@@H](OC(=O)Cc1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
PAM P19021 1/20 0.46
KLK7 P49862 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CNR2 P34972 2/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
AKR1B1 P15121 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3393812 1.00 TSHR (0.62) TSHRALDH1A1MAPK1L3MBTL1CRHBP
SCHEMBL3497340 0.90 KLK7 (0.60) TSHRKLK7CNR2
SCHEMBL28850896 0.86 TSHR (0.61) TSHRALDH1A1MAPK1L3MBTL1CRHBP
SCHEMBL28144709 0.86 KLK7 (0.43) TSHRALDH1A1CRHBPCRHR2KLK7
SCHEMBL8465667 0.84 LMNA (0.45) TSHRALDH1A1KLK7MEN1KMT2A
SCHEMBL4315175 0.84 LMNA (0.44) TSHRALDH1A1KLK7MEN1KMT2A
SCHEMBL19520108 0.84 LMNA (0.44) TSHRALDH1A1KLK7MEN1KMT2A
SCHEMBL28008662 0.84 TSHR (0.50) TSHRALDH1A1MAPK1L3MBTL1CRHBP
SCHEMBL3276203 0.82 TSHR (0.56) TSHRALDH1A1MAPK1L3MBTL1CRHBP
SCHEMBL5907612 0.82 TSHR (0.44) TSHRALDH1A1KLK7MEN1KMT2A

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-2010054319-A2 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2010-05-14 WO claimed