SCHEMBL11832626

SCHEMBL11832626

NCCCCOc1ccc2oc3ccc(OCCCCN)cc3c2c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.59
▸ ACSL1 P33121 2/20 0.48
▸ ACSL6 Q9UKU0 2/20 0.48
▸ LMNA P02545 2/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HTR1A P08908 1/20 0.44
▸ HTR1D P28221 1/20 0.44
▸ HTR1B P28222 1/20 0.44
▸ ALDH2 P05091 2/20 0.44
▸ MAOB P27338 8/20 0.43
▸ HRH3 Q9Y5N1 8/20 0.43
▸ BCHE P06276 2/20 0.43
▸ ACHE P22303 2/20 0.43

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
SCHEMBL1795987 0.95 SIGMAR1 (0.53) SIGMAR1ACSL1ACSL6LMNACYP1A2
SCHEMBL1798871 0.89 SIGMAR1 (0.48) SIGMAR1ACSL1ACSL6LMNACYP1A2
SCHEMBL1794765 0.88 SIGMAR1 (0.52) SIGMAR1ACSL1ACSL6LMNACYP1A2
Hydrochloric Acid SCHEMBL11827270 0.87 SIGMAR1 (0.47) SIGMAR1ACSL1ACSL6LMNAHTR1A
SCHEMBL1798229 0.85 ACSL1 (0.58) SIGMAR1ACSL1ACSL6MAOBHRH3
SCHEMBL1793141 0.83 SIGMAR1 (0.47) SIGMAR1ACSL1ACSL6LMNACYP1A2
SCHEMBL11843741 0.82 ACSL1 (0.50) SIGMAR1ACSL1ACSL6LMNAMAOB
SCHEMBL346823 0.81 NR5A1 (0.51) SIGMAR1ACSL1ACSL6LMNACYP1A2
SCHEMBL367004 0.81 NR5A1 (0.51) SIGMAR1ACSL1ACSL6LMNACYP1A2
SCHEMBL1796848 0.80 SIGMAR1 (0.47) SIGMAR1ALDH2MAOB

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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