SCHEMBL5043236

SCHEMBL5043236

COC(=O)CCCCCCNCc1ccc(-c2ncccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HDAC3 O15379 8/20 0.45
HDAC1 Q13547 8/20 0.45
HDAC2 Q92769 8/20 0.45
HDAC8 Q9BY41 8/20 0.45
NCOR2 Q9Y618 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CHRM2 P08172 2/20 0.43
LMNA P02545 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40

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
SCHEMBL5043181 0.83 ADRB2 (0.52) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL16812994 0.82 HRH4 (0.55) CHRM2HRH4HRH3
SCHEMBL13903744 0.81 HDAC3 (0.66) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL16730575 0.81 HDAC3 (0.66) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL5048135 0.81 ALDH1A1 (0.47) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL19438874 0.80 HDAC3 (0.65) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL2995431 0.79 LMNA (0.52) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL5046740 0.78 HDAC1 (0.44) HDAC3HDAC1HDAC2HDAC8SMN1; SMN2
SCHEMBL5049415 0.76 S1PR1 (0.63) HDAC3HDAC1HDAC2HDAC8SMN1; SMN2
SCHEMBL5046386 0.76 ALDH1A1 (0.44) ALDH1A1HDAC3HDAC1HDAC2HDAC8

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