SCHEMBL11841753

SCHEMBL11841753

CC(C)N(CCOc1ccc2oc3ccc(OCCN(C(C)C)C(C)C)cc3c2c1)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 3/20 0.57
▸ LTA4H P09960 1/20 0.50
▸ ESR1 P03372 3/20 0.48
▸ ESR2 Q92731 3/20 0.48
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ SIGMAR1 Q99720 4/20 0.45
▸ LMNA P02545 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ ACHE P22303 1/20 0.40
▸ XDH P47989 1/20 0.40

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
SCHEMBL11827221 0.82 XDH (0.57) ACHEXDH
SCHEMBL1793632 0.82 SIGMAR1 (0.61) LTA4HCHRNB2CHRNA4SIGMAR1LMNA
SCHEMBL1792676 0.79 SIGMAR1 (0.64) SIGMAR1ACHEXDH
Hydrochloric Acid SCHEMBL11836615 0.78 SIGMAR1 (0.63) SIGMAR1ACHEXDH
SCHEMBL1796856 0.78 SIGMAR1 (0.52) SIGMAR1LMNAL3MBTL1ACHEXDH
SCHEMBL11806775 0.78 LTA4H (0.50) MCHR1LTA4HESR1ESR2CHRNB2
SCHEMBL1793499 0.78 SIGMAR1 (0.62) SIGMAR1
SCHEMBL1793871 0.77 SIGMAR1 (0.60) SIGMAR1LMNAL3MBTL1ACHEXDH
Hydrochloric Acid SCHEMBL11833785 0.76 SIGMAR1 (0.61) SIGMAR1
SCHEMBL1796326 0.75 XDH (0.66) SIGMAR1XDH

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-3953602-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-04-27 — — US disclosed
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