SCHEMBL11838170

SCHEMBL11838170

CC(C)(C)N(CCCC(=O)c1ccc2oc3ccc(C(=O)CCCN(C(C)(C)C)C(C)(C)C)cc3c(=O)c2c1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ TTR P02766 6/20 0.44
▸ AKR1B1 P15121 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PTGER1 P34995 1/20 0.39
▸ PTGER3 P43115 1/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PTGDR Q13258 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LTB4R Q15722 2/20 0.39
▸ SNCA P37840 2/20 0.36
▸ ACSL1 P33121 2/20 0.36
▸ ACSL6 Q9UKU0 2/20 0.36

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
SCHEMBL6841233 0.75 TTR (0.55) NPC1RAB9ATTRAKR1B1KDM4E
SCHEMBL11798714 0.74 NPC1 (0.54) NPC1RAB9ATTRAKR1B1KDM4E
SCHEMBL11871046 0.72 TTR (0.60) NPC1RAB9ATTRAKR1B1KDM4E
SCHEMBL11863092 0.72 LTB4R (0.59) NPC1RAB9ATTRAKR1B1KDM4E
SCHEMBL11835904 0.71 NPC1 (0.51) NPC1RAB9ATTRAKR1B1KDM4E
SCHEMBL11552376 0.71 TTR (0.43) NPC1RAB9ATTRKDM4EALDH1A1
SCHEMBL11801191 0.71 TTR (0.55) NPC1RAB9ATTRAKR1B1KDM4E
SCHEMBL11553175 0.71 KDM4E (0.39) NPC1RAB9ATTRKDM4EALDH1A1
SCHEMBL11748405 0.71 MAOB (0.52) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL11871523 0.71 LTB4R (0.60) NPC1RAB9ATTRAKR1B1KDM4E

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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