SCHEMBL6799189

SCHEMBL6799189

Cc1cc(C)c2c(c1)[C](O)CCC2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.44
UGT2B17 O75795 2/20 0.43
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 2/20 0.37
ACHE P22303 1/20 0.36
TYMS P04818 1/20 0.36
POLB P06746 1/20 0.34

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
SCHEMBL702951 0.75 SMN1; SMN2 (0.46) SMN1; SMN2LMNAUGT2B17GAATDP1
SCHEMBL15286855 0.75 SMN1; SMN2 (0.43) SMN1; SMN2LMNAUGT2B17GAATDP1
SCHEMBL704984 0.75 SMN1; SMN2 (0.43) SMN1; SMN2LMNAUGT2B17GAATDP1
SCHEMBL705489 0.75 SMN1; SMN2 (0.57) SMN1; SMN2LMNAUGT2B17GAATDP1
SCHEMBL705490 0.75 SMN1; SMN2 (0.57) SMN1; SMN2LMNAUGT2B17GAATDP1
SCHEMBL16527051 0.71 SMN1; SMN2 (0.43) SMN1; SMN2LMNAUGT2B17ALDH1A1KDM4E
SCHEMBL4869436 0.70 TYMS (0.39) SMN1; SMN2LMNAUGT2B17GAATDP1
SCHEMBL6783870 0.70 SMN1; SMN2 (0.46) SMN1; SMN2LMNAUGT2B17GAATDP1
SCHEMBL7647664 0.69 SMN1; SMN2 (0.45) SMN1; SMN2LMNAUGT2B17GAATDP1
SCHEMBL6783536 0.69 SMN1; SMN2 (0.45) SMN1; SMN2LMNAUGT2B17GAATDP1

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
US-6750243-B1 COMPETITIVE INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASES, ESPECIALLY THROMBIN; chemical synthesis; anticoagulants; treatment of thrombosis AstraZeneća AB (SE) 2004-06-15 US claimed