SCHEMBL11550530

SCHEMBL11550530

CC(CCN1CCCCC1)CC(=O)c1ccc2oc3ccc(C(=O)CC(C)CCN4CCCCC4)cc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.45
▸ MCHR1 Q99705 1/20 0.44
▸ ALDH1A1 P00352 7/20 0.43
▸ MAPT P10636 5/20 0.43
▸ HPGD P15428 3/20 0.43
▸ THRB P10828 2/20 0.43
▸ MAOB P27338 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ ALPL P05186 1/20 0.39
▸ ALPG P10696 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.38

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
SCHEMBL11554941 0.86 SIGMAR1 (0.47) SIGMAR1MCHR1ALDH1A1MAPTHPGD
SCHEMBL11675968 0.81 L3MBTL1 (0.58) MCHR1ALDH1A1MAPTHPGDTHRB
SCHEMBL11551512 0.78 KDM4E (0.54) MCHR1ALDH1A1MAPTHPGDMAOB
SCHEMBL11552117 0.78 TTR (0.38) MCHR1ALDH1A1HPGDTP53HSD17B10
SCHEMBL11551316 0.77 ALPL (0.61) SIGMAR1MCHR1ALDH1A1MAPTHPGD
SCHEMBL11551105 0.77 KDM4E (0.59) MCHR1ALDH1A1MAPTHPGDMAOB
SCHEMBL11552125 0.77 ALDH1A1 (0.52) MCHR1ALDH1A1MAPTHPGDMAOB
Hydrochloric Acid SCHEMBL29794111 0.76 ALPL (0.64) SIGMAR1MCHR1ALDH1A1MAPTHPGD
SCHEMBL11550534 0.76 HRH3 (0.41) SIGMAR1TP53KMT2ATSHRMEN1
SCHEMBL6841232 0.76 ALDH1A1 (0.57) ALDH1A1MAPTHPGDMAOBHTT

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-4146624-A METHOD OF TREATING VIRUSES WITH BIS-BASIC KETONES OF DIBENZOFURAN RICHARDSON-MERRELL INC. (US) 1979-03-27 — — US disclosed
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