SCHEMBL19358010

SCHEMBL19358010

CC(=Nc1cc(C(C)C)ccc1C(C)C)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 9/20 0.42
NPC1 O15118 9/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
MAPT P10636 5/20 0.42
KMT2A Q03164 5/20 0.42
GAA P10253 4/20 0.42
MEN1 O00255 4/20 0.42
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 3/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALOX12 P18054 1/20 0.40
GFER P55789 1/20 0.40
SLC2A1 P11166 1/20 0.40
TOP2A P11388 2/20 0.39
OPRK1 P41145 3/20 0.38
AGTR1 P30556 2/20 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
SCHEMBL20094447 0.84 KDM4E (0.54) KDM4ERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL19358130 0.81 NPC1 (0.35) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL5568543 0.79 KDM4E (0.43) KDM4ERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL242519 0.77 KDM4E (0.53) KDM4ERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8166694 0.77 KDM4E (0.53) KDM4ERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL242518 0.77 KDM4E (0.53) KDM4ERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8167553 0.75 KDM4E (0.51) KDM4ERAB9ANPC1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL5083705 0.75 KDM4E (0.51) KDM4ERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL19358239 0.75 TRPA1 (0.38) KDM4ESMN1; SMN2MAPTGAALMNA
SCHEMBL19358237 0.75 TRPA1 (0.38) KDM4ESMN1; SMN2MAPTGAALMNA

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
WO-2019053541-A1 ACRYLATES THROUGH OLEFIN/CARBON DIOXIDE COUPLING SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2019-03-21 WO disclosed
WO-2019053540-A1 METHODS OF PRODUCING ALPHA, BETA-UNSATURATED CARBOXYLIC ACID SALTS FROM ALKANES AND CARBON DIOXIDE SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2019-03-21 WO disclosed
WO-2017158469-A1 METHODS OF MAKING ALPHA, BETA-UNSATURATED CARBOXYLIC ACIDS OR SALTS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-09-21 WO disclosed