SCHEMBL23398704

SCHEMBL23398704

CCCc1nn(-c2ccccc2C)c(O)c1CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.37
ALDH1A1 P00352 4/20 0.36
DHODH Q02127 1/20 0.36
HSD11B1 P28845 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 3/20 0.34
APLNR P35414 1/20 0.34
THRB P10828 1/20 0.34
MAPK1 P28482 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ADORA1 P30542 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 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
SCHEMBL23402731 0.94 ALDH1A1 (0.38) USP2ALDH1A1DHODHHSD11B1TSHR
SCHEMBL23400711 0.92 POLB (0.36) ALDH1A1DHODHHSD11B1POLBMAPT
SCHEMBL23402633 0.91 POLB (0.38) USP2ALDH1A1HSD11B1TSHRKDM4E
SCHEMBL23400354 0.90 DHODH (0.39) USP2ALDH1A1DHODHHSD11B1TSHR
SCHEMBL23401608 0.90 DHODH (0.40) ALDH1A1DHODHHSD11B1TSHRHTT
SCHEMBL23398608 0.87 POLB (0.37) ALDH1A1HSD11B1KDM4EPOLBMAPT
SCHEMBL23402728 0.87 POLB (0.38) ALDH1A1HSD11B1TSHRKDM4EPOLB
SCHEMBL23400924 0.87 KDM4E (0.38) USP2ALDH1A1DHODHHSD11B1TSHR
SCHEMBL23400568 0.86 DHODH (0.38) ALDH1A1DHODHHSD11B1TSHRKDM4E
SCHEMBL23400424 0.85 ALDH1A1 (0.38) USP2ALDH1A1DHODHHSD11B1TSHR

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