SCHEMBL19116014

SCHEMBL19116014

C=C(C)CN(CCO)CCOCC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL2233168 0.82 ALDH1A1 (0.55) ALDH1A1CYP1A2THRBMEN1POLB
SCHEMBL9517032 0.82 ALDH1A1 (0.55) ALDH1A1CYP1A2THRBMEN1POLB
SCHEMBL22821372 0.81 ALDH1A1 (0.41) ALDH1A1THRBTSHRBLMPMP22
SCHEMBL15965440 0.78 ALDH1A1 (0.50) ALDH1A1CYP1A2THRBMEN1POLB
SCHEMBL11200987 0.78 ALDH1A1 (0.50) ALDH1A1CYP1A2THRBMEN1POLB
SCHEMBL18052396 0.76 CYP1A2 (0.34) CYP1A2
SCHEMBL10965160 0.76 ALDH1A1 (0.61) ALDH1A1CYP1A2THRBMEN1POLB
SCHEMBL21775830 0.76 CYP1A2 (0.43) ALDH1A1CYP1A2HSD17B10
SCHEMBL1250798 0.75 MEN1 (0.31) MEN1POLBKMT2A
SCHEMBL15965443 0.75 ALDH1A1 (0.58) ALDH1A1CYP1A2THRBMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017118700-A1 CONTROLLED-RELEASE CNP AGONISTS WITH INCREASED NEP STABILITY ASCENDIS PHARMA GROWTH DISORDERS A/S (DK) 2017-07-13 WO disclosed
WO-2017118698-A1 CNP PRODRUGS WITH CARRIER ATTACHMENT AT THE RING MOIETY ASCENDIS PHARMA GROWTH DISORDERS A/S (DK) 2017-07-13 WO disclosed
WO-2017118707-A1 CONTROLLED-RELEASE CNP AGONISTS WITH REDUCED SIDE-EFFECTS ASCENDIS PHARMA GROWTH DISORDERS A/S (DK) 2017-07-13 WO disclosed