SCHEMBL11575546

SCHEMBL11575546

CC(C)(C)CC(C)(C)NC(=O)N(CCCN1CCN(CCCN(C(=N)N)C(=O)NC(C)(C)CC(C)(C)C)CC1)C(=N)N

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ USP2 O75604 1/20 0.31
▸ 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
SCHEMBL11468029 0.84 USP2 (0.36) ALDH1A1LMNAGAAMAPTMAPK1
SCHEMBL11501680 0.81 POLB (0.32) EPHX1
SCHEMBL11468016 0.72 USP2 (0.44) SMN1; SMN2USP2EPHX1
SCHEMBL11460240 0.69 USP2 (0.41) ALDH1A1USP2EPHX1
SCHEMBL11572833 0.68 FPR3 (0.41) ALDH1A1GAAEPHX1
SCHEMBL11572183 0.68 EPHX2 (0.44) ALDH1A1EPHX1
SCHEMBL11459630 0.68 USP2 (0.45) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL11501893 0.68 KDM4E (0.45) ALDH1A1EPHX1
SCHEMBL11501940 0.68 CACNA1G (0.50) —
SCHEMBL23344391 0.67 LMNA (0.46) ALDH1A1LMNAGAAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4110328-A Bis-carbamylguanidinoazaalkane antimicrobial compounds COOPER LABORATORIES, INC. (US) 1978-08-29 — — US claimed
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