SCHEMBL23399533

SCHEMBL23399533

Cc1ccccc1-c1nn(-c2ccccc2C)c(O)c1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 5/20 0.36
LDHA P00338 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 5/20 0.34
TSHR P16473 3/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
KCNN4 O15554 1/20 0.33
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL23400577 0.86 DCTPP1 (0.39) ALDH1A1LDHAKMT2ATSHRMEN1
SCHEMBL23402382 0.86 ALDH1A1 (0.45) ALDH1A1L3MBTL1KMT2ATSHRHTT
SCHEMBL23402445 0.83 DCTPP1 (0.41) TP53ALDH1A1LDHAL3MBTL1KMT2A
SCHEMBL23401538 0.83 ALDH1A1 (0.37) HSP90AA1HSP90AB1TP53ALDH1A1L3MBTL1
SCHEMBL23399479 0.82 TP53 (0.39) TP53ALDH1A1KMT2ATSHRHTT
SCHEMBL23403089 0.82 KMT2A (0.43) HSP90AA1HSP90AB1ALDH1A1L3MBTL1KMT2A
SCHEMBL23401454 0.81 MEN1 (0.41) TP53ALDH1A1LDHAKMT2AMEN1
SCHEMBL23401577 0.81 ESR1 (0.38) TP53ALDH1A1LDHAL3MBTL1KMT2A
SCHEMBL23400556 0.81 LDHA (0.37) TP53ALDH1A1LDHAL3MBTL1KMT2A
SCHEMBL23403593 0.81 ALDH1A1 (0.38) HSP90AA1HSP90AB1ALDH1A1L3MBTL1KMT2A

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