SCHEMBL2358729

SCHEMBL2358729

CCCCCC(CC(C)=O)(c1ccccc1)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
NQO1 P15559 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALB P02768 1/20 0.45
CYP2C9 P11712 1/20 0.45
PCSK7 Q16549 1/20 0.45
HSD17B10 Q99714 1/20 0.45
VKORC1 Q9BQB6 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 1/20 0.43
CA9 Q16790 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
SCHEMBL9214360 0.81 NQO1 (0.52) LMNAHTTALDH1A1TSHRNQO1
SCHEMBL15514111 0.78 ALDH1A1 (0.51) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL3778823 0.78 ALDH1A1 (0.51) LMNAHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL7351830 0.78 ALDH1A1 (0.50) LMNAALDH1A1TSHRSMN1; SMN2NQO1
SCHEMBL5103338 0.76 NQO1 (0.52) LMNAHTTNPC1RAB9AALDH1A1
SCHEMBL6890789 0.74 CYP2C9 (0.52) LMNAHTTALDH1A1SMN1; SMN2NQO1
SCHEMBL3048772 0.74 ALDH1A1 (0.46) LMNAALDH1A1TSHRNQO1KDM4E
SCHEMBL9286035 0.73 NQO1 (0.53) LMNAHTTALDH1A1TSHRNQO1
SCHEMBL1649890 0.72 NQO1 (0.50) LMNAHTTALDH1A1TSHRNQO1
SCHEMBL7354341 0.71 KDM4E (0.55) LMNAALDH1A1TSHRSMN1; SMN2NQO1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2198052-B1 METHOD FOR ADMINISTERING ANTICOAGULATION THERAPY MARSHFIELD CLINIC (US) 2013-07-17 EP claimed
EP-2198052-B1 METHOD FOR ADMINISTERING ANTICOAGULATION THERAPY MARSHFIELD CLINIC (US) 2013-07-17 EP disclosed
US-20110189675-A1 Method For Administering Anticoagulation Therapy MARSHFIELD CLINIC (US) 2011-08-04 US disclosed
EP-2198052-A1 METHOD FOR ADMINISTERING ANTICOAGULATION THERAPY Marshfield Clinic (US) 2010-06-23 EP disclosed
WO-2009052160-A1 METHOD FOR ADMINISTERING ANTICOAGULATION THERAPY MARSHFIELD CLINIC (US) 2009-04-23 WO disclosed
US-20090087856-A1 METHOD FOR ADMINISTERING ANTICOAGULATION THERAPY MARSHFIELD CLINIC (US) 2009-04-02 US disclosed