SCHEMBL23403121

SCHEMBL23403121

Cc1ccccc1-c1[nH]n(C(C)(C)C)c(=O)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
GAA P10253 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
BRD4 O60885 1/20 0.38
NOTUM Q6P988 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.35
RECQL P46063 1/20 0.35
TP53 P04637 2/20 0.35
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL23400836 0.88 MAPT (0.45) MAPTSMN1; SMN2LMNAHTTGAA
SCHEMBL23399555 0.82 MAPT (0.46) MAPTSMN1; SMN2LMNAHTTGAA
SCHEMBL23399813 0.82 MAPT (0.43) MAPTSMN1; SMN2LMNAHTTGAA
SCHEMBL23401430 0.80 GAA (0.49) MAPTSMN1; SMN2LMNAHTTGAA
SCHEMBL23402091 0.80 MAPT (0.41) MAPTSMN1; SMN2LMNAHTTGAA
SCHEMBL23400380 0.80 MAPT (0.44) MAPTSMN1; SMN2LMNAHTTGAA
SCHEMBL23402176 0.79 MAPT (0.43) MAPTSMN1; SMN2LMNAHTTGAA
SCHEMBL23398418 0.79 LMNA (0.40) MAPTSMN1; SMN2LMNAHTTGAA
SCHEMBL23401027 0.78 BRD4 (0.45) MAPTALDH1A1NPC1RAB9ABRD4
SCHEMBL23401401 0.74 RAB9A (0.40) MAPTSMN1; SMN2LMNAHTTCYP2C9

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