SCHEMBL23401271

SCHEMBL23401271

CCCc1c(-c2ccccc2)c(O)nn1-c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TSHR P16473 1/20 0.41
FABP3 P05413 4/20 0.37
FABP4 P15090 4/20 0.37
FABP5 Q01469 3/20 0.37
MAPT P10636 4/20 0.36
LMNA P02545 1/20 0.36
ALPL P05186 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD11B1 P28845 1/20 0.36
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
APLNR P35414 1/20 0.35
KDM4E B2RXH2 1/20 0.35
FABP1 P07148 1/20 0.34
SLC5A1 P13866 2/20 0.34

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
SCHEMBL23402856 0.92 ADORA1 (0.37) ALDH1A1TSHRFABP3FABP4FABP5
SCHEMBL23401466 0.92 ALDH1A1 (0.41) ALDH1A1TSHRFABP3FABP4FABP5
SCHEMBL23398720 0.89 FABP4 (0.46) ALDH1A1TSHRFABP3FABP4FABP5
SCHEMBL23398923 0.85 ADORA3 (0.37) ALDH1A1MAPTHSD11B1APLNRKDM4E
SCHEMBL23399550 0.83 USP2 (0.44) ALDH1A1TSHRMAPTLMNANPSR1
SCHEMBL23402245 0.83 ALDH1A1 (0.38) ALDH1A1TSHRMAPTHSD11B1USP2
SCHEMBL23402493 0.83 ALDH1A1 (0.42) ALDH1A1TSHRFABP3FABP4FABP5
SCHEMBL23400121 0.82 MAPT (0.37) ALDH1A1TSHRMAPTLMNANPSR1
SCHEMBL23401901 0.81 FABP4 (0.40) ALDH1A1TSHRFABP3FABP4FABP5
SCHEMBL23398626 0.81 MAPT (0.41) ALDH1A1TSHRMAPTLMNANPSR1

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