SCHEMBL14787718

SCHEMBL14787718

OCCc1ccc2c(c1)OCCN1CCOCCOCCN(CCOCCOCC1)CCO2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ LMNA P02545 4/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ TP53 P04637 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH3A1 P30838 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ FKBP1A P62942 1/20 0.39
▸ CALM1 P0DP23 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ BLM P54132 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL14787799 1.00 CYP2D6 (0.41) CYP2D6TAAR1LMNAALDH1A1TP53
SCHEMBL19441513 0.88 CALM1 (0.36) CYP2D6TAAR1LMNAALDH1A1TP53
SCHEMBL14787725 0.88 CYP2D6 (0.43) CYP2D6LMNAALDH1A1TP53MAPT
SCHEMBL14787885 0.88 CYP2D6 (0.43) CYP2D6LMNAALDH1A1TP53MAPT
SCHEMBL14777294 0.88 LMNA (0.50) TAAR1LMNAALDH1A1MAPTHTT
SCHEMBL14776904 0.88 LMNA (0.50) TAAR1LMNAALDH1A1MAPTHTT
SCHEMBL3777135 0.82 TAAR1 (0.52) CYP2D6TAAR1LMNAALDH1A1HTT
SCHEMBL19441517 0.79 LMNA (0.42) TAAR1LMNAALDH1A1TP53MAPT
SCHEMBL19441519 0.79 LMNA (0.42) TAAR1LMNAALDH1A1TP53MAPT
SCHEMBL14787847 0.76 NPC1 (0.41) CYP2D6LMNAALDH1A1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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