SCHEMBL14110232

SCHEMBL14110232

CC(=O)c1c(OCc2ccccc2)ccc(N)c1O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CA9 Q16790 1/20 0.55
BRD4 O60885 1/20 0.50
MAOB P27338 5/20 0.49
KCNA2 P16389 1/20 0.47
KCNA5 P22460 1/20 0.47
KCNA1 Q09470 1/20 0.47
CYP19A1 P11511 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PTPN1 P18031 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
SCHEMBL6014056 0.87 MAPT (0.48) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL891074 0.86 MAPT (0.47) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL3504340 0.81 MAPT (0.54) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL4947232 0.80 MAOB (0.61) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL9741291 0.80 PRKCI (0.55) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL1728168 0.78 MAOB (0.76) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL30892463 0.78 MAOB (0.76) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL1559781 0.77 MAPT (0.72) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
Acetic Acid SCHEMBL9653704 0.77 SMN1; SMN2 (0.52) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL2009073 0.75 CREBBP (0.66) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1

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-7399789-B2 Drug delivering agents is chemically bonded to a bone active agent; for treatment of bone injury, bone metabolic disorders, prophylaxis or diagnosis; targeting to bone UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION (US) 2008-07-15 US disclosed