SCHEMBL23398771

SCHEMBL23398771

CCCCc1cnn(-c2ccc(C)cc2)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 3/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 1/20 0.37
TYR P14679 1/20 0.36
HIF1A Q16665 1/20 0.35
KMT2A Q03164 1/20 0.35
XDH P47989 1/20 0.35

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
SCHEMBL23402994 0.91 RAB9A (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL23398637 0.86 NR4A3 (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL23399736 0.84 ALDH1A1 (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL23401502 0.84 SMN1; SMN2 (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL23403141 0.83 LMNA (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL27721618 0.82 RAB9A (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL4622844 0.81 CNR1 (0.45) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL23402558 0.79 ALDH1A1 (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL23401626 0.77 HIF1A (0.39) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL23399778 0.77 HIF1A (0.41) ALDH1A1SMN1; SMN2TP53POLBMAPT

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed