SCHEMBL9246736

SCHEMBL9246736

O=C(CN1CCCC1)OCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
POLB P06746 1/20 0.52
HRH3 Q9Y5N1 2/20 0.52
ATM Q13315 1/20 0.49
SIGMAR1 Q99720 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 2/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
CYP2C19 P33261 1/20 0.45
PRCP P42785 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45

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
SCHEMBL9281457 0.95 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1POLBATM
SCHEMBL9250667 0.89 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1POLBHRH3
SCHEMBL9246829 0.88 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1POLBHRH3
SCHEMBL9253983 0.88 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1POLBHRH3
SCHEMBL20305268 0.82 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1ATMSIGMAR1
SCHEMBL3862994 0.81 KMT2A (0.48) ALDH1A1KMT2AMEN1POLBATM
SCHEMBL12772771 0.81 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1POLBATM
SCHEMBL23269810 0.79 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1ATMSIGMAR1
SCHEMBL4184236 0.79 ALDH1A1 (0.56) ALDH1A1KMT2AHRH3ATMSIGMAR1
SCHEMBL19611440 0.79 MEN1 (0.55) ALDH1A1KMT2AMEN1POLBHRH3

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
EP-0527427-B1 Catalysts and casting article, method, and composition MINNESOTA MINING & MFG (US) 1995-11-15 EP claimed
EP-0527427-A2 Catalysts and casting article, method, and composition MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-02-17 EP claimed
EP-0527427-B1 Catalysts and casting article, method, and composition MINNESOTA MINING & MFG (US) 1995-11-15 EP disclosed
US-5244997-A Polyurethane MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-09-14 US disclosed
EP-0527427-A2 Catalysts and casting article, method, and composition MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-02-17 EP disclosed