SCHEMBL5046896

SCHEMBL5046896

COC(=O)CCc1cccc(CNCc2ccc3c(c2)OCO3)c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 7/20 0.55
MEN1 O00255 5/20 0.55
HSD17B10 Q99714 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
MMP13 P45452 1/20 0.51

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
SCHEMBL5048117 0.93 SMN1; SMN2 (0.51) SMN1; SMN2KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL2601402 0.89 SMN1; SMN2 (0.61) SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL5043233 0.83 RAB9A (0.49) SMN1; SMN2
SCHEMBL21583731 0.81 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL25987654 0.80 POLB (0.60) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL5048100 0.80 TAS2R14 (0.64) KMT2AMEN1HSD17B10ALDH1A1TDP1
Hydrochloric Acid SCHEMBL5109987 0.80 SMN1; SMN2 (0.64) SMN1; SMN2KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL6059400 0.79 RAB9A (0.52) SMN1; SMN2KMT2AMEN1HSD17B10ALDH1A1
SCHEMBL17084609 0.79 HDAC1 (0.70) SMN1; SMN2KMT2AMEN1HSD17B10
SCHEMBL5047945 0.78 TAS2R14 (0.58) SMN1; SMN2KMT2AMEN1HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442702-B2 Treatment of bone disorders; carboxy derivatives PFIZER INC. (US) 2008-10-28 US disclosed
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP disclosed
US-6498172-B1 (3-(((4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO)-METHYL) -PHENOXY)-ACETIC ACID OR SALT; TREATING SUCH AS OSTEOPOROSIS PFIZER INC. 2002-12-24 US disclosed
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO disclosed