SCHEMBL11501680

SCHEMBL11501680

CN(CCCN(C(=N)N)C(=O)NC(C)(C)CC(C)(C)C)CCCN(C(=N)N)C(=O)NC(C)(C)CC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.32
▸ EPHX1 P07099 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
SCHEMBL11575546 0.81 ALDH1A1 (0.33) EPHX1
SCHEMBL11501702 0.69 SPHK1 (0.43) EPHX1
SCHEMBL11501681 0.67 CHEK1 (0.34) POLB
SCHEMBL11501582 0.66 KMT2A (0.41) EPHX1
SCHEMBL11501927 0.66 TSHR (0.51) POLB
SCHEMBL11501585 0.66 MLYCD (0.34) EPHX1
SCHEMBL3926071 0.64 POLB (0.47) POLBEPHX1
Guanoctine SCHEMBL5909699 0.64 POLB (0.38) POLBEPHX1
Guanoctine SCHEMBL121121 0.63 POLB (0.37) POLBEPHX1
SCHEMBL14592780 0.61 POLB (0.44) POLBEPHX1

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
US-4166827-A DENTAL PLAQUE COOPER LABORATORIES, INC. (US) 1979-09-04 — — US claimed
US-4166827-A DENTAL PLAQUE COOPER LABORATORIES, INC. (US) 1979-09-04 — — US disclosed
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