SCHEMBL14787885

SCHEMBL14787885

OCc1ccc2c(c1)OCCN1CCOCCOCCN(CCOCC1)CCO2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.43
▸ PDCD1 Q15116 4/20 0.43
▸ CD274 Q9NZQ7 4/20 0.43
▸ LMNA P02545 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ ALDH3A1 P30838 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ FKBP1A P62942 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 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
SCHEMBL14787725 1.00 CYP2D6 (0.43) CYP2D6PDCD1CD274LMNAALDH1A1
SCHEMBL14787799 0.88 CYP2D6 (0.41) CYP2D6LMNAALDH1A1TP53MAPT
SCHEMBL14787718 0.88 CYP2D6 (0.41) CYP2D6LMNAALDH1A1TP53MAPT
SCHEMBL18101270 0.87 MAPT (0.53) PDCD1CD274LMNAALDH1A1MAPT
SCHEMBL18101275 0.87 MAPT (0.53) PDCD1CD274LMNAALDH1A1MAPT
SCHEMBL12764476 0.87 MAPT (0.53) PDCD1CD274LMNAALDH1A1MAPT
SCHEMBL14787738 0.87 MAPT (0.53) PDCD1CD274LMNAALDH1A1MAPT
SCHEMBL16559901 0.87 MAPT (0.53) PDCD1CD274LMNAALDH1A1MAPT
SCHEMBL25018796 0.82 SMN1; SMN2 (0.59) CYP2D6PDCD1CD274LMNAMAPT
SCHEMBL20225729 0.81 PDCD1 (0.57) CYP2D6PDCD1CD274LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9786941-B2 Metal ionophores in PEM membranes GM Global Technology Operations LLC (US) 2017-10-10 — — US disclosed
US-9077038-B2 Lithium ion batteries GM Global Technology Operations LLC (US) 2015-07-07 — — US disclosed
US-9077038-B2 Lithium ion batteries GM Global Technology Operations LLC (US) 2015-07-07 — — US disclosed
US-20130071742-A1 LITHIUM ION BATTERIES GM Global Technology Operations LLC (US) 2013-03-21 — — US disclosed
US-20130071742-A1 LITHIUM ION BATTERIES GM Global Technology Operations LLC (US) 2013-03-21 — — US disclosed
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