SCHEMBL6122824

SCHEMBL6122824

[CH2]CCC[C@@H](C(=O)N(Cc1cccs1)Cc1cccs1)N(C)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ POLB P06746 3/20 0.46
▸ HTT P42858 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ TSHR P16473 3/20 0.41
▸ PKM P14618 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ TRPM8 Q7Z2W7 5/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RIPK1 Q13546 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ADAM17 P78536 3/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL6122973 0.89 ALDH1A1 (0.44) ALDH1A1POLBHTTSMN1; SMN2USP2
SCHEMBL6122608 0.85 RIPK1 (0.40) ALDH1A1POLBHTTSMN1; SMN2USP2
SCHEMBL6123005 0.83 ADAM17 (0.43) ALDH1A1POLBHTTSMN1; SMN2USP2
SCHEMBL21114761 0.83 ADAM17 (0.43) ALDH1A1POLBHTTSMN1; SMN2USP2
SCHEMBL15238932 0.82 ALDH1A1 (0.45) ALDH1A1POLBHTTSMN1; SMN2USP2
SCHEMBL18190214 0.81 ALDH1A1 (0.42) ALDH1A1POLBHTTSMN1; SMN2USP2
SCHEMBL6122051 0.80 POLB (0.48) ALDH1A1POLBHTTSMN1; SMN2USP2
SCHEMBL6123150 0.79 POLB (0.47) ALDH1A1POLBHTTSMN1; SMN2USP2
SCHEMBL6121577 0.79 ALDH1A1 (0.43) ALDH1A1POLBHTTSMN1; SMN2USP2
SCHEMBL6123067 0.76 POLB (0.62) ALDH1A1POLBHTTSMN1; SMN2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640721-A2 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS Texas Heart Institute (US) 2013-09-25 — — EP claimed
WO-2012068251-A2 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE (US) 2012-05-24 — — WO claimed
EP-3164127-A1 COMPOSITIONS AND METHODS TO IMPROVE ADOPTIVE CELL THERAPIES 7 HILLS INTERESTS, LLC (US) 2017-05-10 — — EP disclosed
EP-3104867-A1 COMPOSITIONS AND METHODS TO IMPROVE THE HOMING AND GRAFTING OF HEMATOPOETIC STEM CELLS 7 HILLS INTERESTS, LLC (US) 2016-12-21 — — EP disclosed
WO-2016003980-A1 COMPOSITIONS AND METHODS TO IMPROVE ADOPTIVE CELL THERAPIES 7 HILLS INTERESTS LLC (US) 2016-01-07 — — WO disclosed
WO-2015123447-A1 COMPOSITIONS AND METHODS TO IMPROVE THE HOMING AND GRAFTING OF HEMATOPOETIC STEM CELLS 7 HILLS PHARMA, LLC (US) 2015-08-20 — — WO disclosed
EP-2640721-A2 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS Texas Heart Institute (US) 2013-09-25 — — EP disclosed
WO-2012068251-A2 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE (US) 2012-05-24 — — WO disclosed
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