SCHEMBL5693463

SCHEMBL5693463

C=C(C)C(=O)NCC(C)(C)CNCC

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TGFBR1 P36897 1/20 0.31
TSHR P16473 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL13862890 0.88 SMN1; SMN2 (0.45) SMN1; SMN2HSD17B10TGFBR1TSHRKDM4E
SCHEMBL20216160 0.82 SMN1; SMN2 (0.37) SMN1; SMN2HSD17B10TGFBR1ALDH1A1
SCHEMBL5693436 0.81 SMN1; SMN2 (0.40) SMN1; SMN2HSD17B10TGFBR1TSHRKDM4E
SCHEMBL19176636 0.79 SMN1; SMN2 (0.35) SMN1; SMN2HSD17B10TGFBR1ALDH1A1
SCHEMBL10962612 0.79 SMN1; SMN2 (0.33) SMN1; SMN2HSD17B10
SCHEMBL183583 0.79 TGFBR1 (0.37) SMN1; SMN2HSD17B10TGFBR1ALDH1A1
SCHEMBL5693540 0.77 KDM4E (0.38) SMN1; SMN2HSD17B10TGFBR1KDM4E
SCHEMBL18897130 0.76 TSHR (0.33) SMN1; SMN2HSD17B10TGFBR1TSHRALDH1A1
SCHEMBL20269674 0.76 SMN1; SMN2 (0.38) SMN1; SMN2HSD17B10TSHR
SCHEMBL3232710 0.76 TGFBR1 (0.36) SMN1; SMN2HSD17B10TGFBR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487882-B1 BASE POLYMER OBTAINED BY HYDROGENATION STOCKHAUSEN CHEM FAB GMBH (DE) 2006-05-24 EP disclosed
US-20050215756-A1 Basic polymer obtained by hydrogenation STOCKHAUSEN GMBH (DE) 2005-09-29 US disclosed
EP-1487882-A1 BASE POLYMER OBTAINED BY HYDROGENATION Stockhausen GmbH (DE) 2004-12-22 EP disclosed
WO-2003080682-A1 BASE POLYMER OBTAINED BY HYDROGENATION STOCKHAUSEN GMBH (DE) 2003-10-02 WO disclosed