SCHEMBL23401015

SCHEMBL23401015

CCc1c(O)nn(-c2ccccc2)c1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
P2RX7 Q99572 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NR4A3 Q92570 1/20 0.37
GCGR P47871 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 2/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 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
SCHEMBL23401155 0.88 USP2 (0.43) ALDH1A1GAATSHRLMNAP2RX7
SCHEMBL23403525 0.86 SLC5A1 (0.36) ALDH1A1LMNAL3MBTL1NPC1RAB9A
SCHEMBL23398393 0.86 P2RX7 (0.40) ALDH1A1GAATSHRLMNAP2RX7
SCHEMBL23399084 0.85 USP2 (0.41) ALDH1A1GAATSHRLMNAP2RX7
SCHEMBL23402607 0.84 ALDH1A1 (0.41) ALDH1A1TSHRLMNAL3MBTL1NPC1
SCHEMBL23400282 0.82 NPBWR1 (0.41) ALDH1A1TSHRLMNAL3MBTL1KDM4E
SCHEMBL23402046 0.81 ALDH1A1 (0.37) ALDH1A1TSHRMAPK1L3MBTL1KDM4E
SCHEMBL23400799 0.79 NR4A3 (0.46) ALDH1A1GAATSHRLMNAMAPK1
SCHEMBL23399802 0.79 ALDH1A1 (0.44) ALDH1A1GAATSHRLMNAMAPK1
SCHEMBL23398708 0.79 NPC1 (0.54) ALDH1A1TSHRLMNAP2RX7NPC1

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