SCHEMBL2859531

SCHEMBL2859531

C#CCON(c1ccccc1)[C@@H](C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
TSHR P16473 4/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
CYP1A2 P05177 3/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
CYP2D6 P10635 2/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1A P35348 1/20 0.36
SNCA P37840 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL11133458 0.78 LTA4H (0.44) TSHRALDH1A1LMNACYP1A2CYP2D6
SCHEMBL8846449 0.78 LTA4H (0.44) TSHRALDH1A1LMNACYP1A2CYP2D6
SCHEMBL3199580 0.75 KMT2A (0.41) CHRNB2CHRNB4CHRNA3CHRNA4TSHR
SCHEMBL27750659 0.73 MAOA (0.41) TSHRALDH1A1LMNATP53SMN1; SMN2
SCHEMBL5669517 0.72 NPC1 (0.44) NPC1TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL28776425 0.70 TSHR (0.44) NPC1TSHRALDH1A1LMNATP53
SCHEMBL11856183 0.70 NPC1 (0.42) NPC1TSHRALDH1A1GLAHTT
SCHEMBL6632940 0.70 CHRNB2 (0.40) NPC1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6659379 0.70 CHRNB2 (0.40) NPC1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17666033 0.69 ALDH1A1 (0.45) TSHRALDH1A1LMNATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247743-A2 MODIFIED LEPTIN POLYPEPTIDES AND THEIR USES AMBRX, INC. (US) 2010-11-10 EP disclosed
WO-2009100255-A2 MODIFIED LEPTIN POLYPEPTIDES AND THEIR USES AMBRX, INC. (US) 2009-08-13 WO disclosed