SCHEMBL23399802

SCHEMBL23399802

Cc1c(O)nn(-c2ccccc2)c1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
KDM4C Q9H3R0 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
APEX1 P27695 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
FCGR1A P12314 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 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
SCHEMBL23399637 0.86 ALDH1A1 (0.38) ALDH1A1TDP1LMNACYP1A2CYP2C19
SCHEMBL23400551 0.84 ALDH1A1 (0.45) ALDH1A1GAALMNAMAPK1SMN1; SMN2
SCHEMBL23402895 0.81 LMNA (0.44) ALDH1A1LMNACYP1A2SMN1; SMN2POLB
SCHEMBL23399428 0.80 NPC1 (0.44) ALDH1A1GAAKDM4CTDP1NPSR1
SCHEMBL23398978 0.80 ALDH1A1 (0.39) ALDH1A1LMNAMAPK1SMN1; SMN2KDM4E
SCHEMBL23400579 0.79 MAPK1 (0.47) ALDH1A1GAAKDM4CTDP1LMNA
SCHEMBL23401015 0.79 ALDH1A1 (0.41) ALDH1A1GAAKDM4CLMNAMAPK1
SCHEMBL23401238 0.79 ALDH1A1 (0.41) ALDH1A1GAAKDM4CTDP1LMNA
SCHEMBL23403624 0.79 NPC1 (0.43) ALDH1A1GAALMNANPSR1MAPK1
SCHEMBL23402575 0.78 KDM4C (0.53) ALDH1A1KDM4CTDP1LMNANPSR1

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