SCHEMBL11399889

SCHEMBL11399889

CCOP(=O)(Cc1cc(C(C)(C)C)no1)OCC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.42
HMGCR P04035 5/20 0.40
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.33
NR1I2 O75469 1/20 0.31
KDM4E B2RXH2 1/20 0.31
EGFR P00533 1/20 0.30
PPARD Q03181 1/20 0.30

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
SCHEMBL9863333 0.80 MAPT (0.49) MAPTHTTALDH1A1TSHRKDM4E
SCHEMBL11397475 0.78 MAPT (0.44) MAPTHTTTSHREGFRPPARD
SCHEMBL11401392 0.78 ALDH1A1 (0.41) ALDH1A1EGFR
SCHEMBL8864052 0.77 MAPT (0.43) MAPTHTTALDH1A1TSHRKDM4E
SCHEMBL11392501 0.76 MAPT (0.43) MAPTHTTALDH1A1TSHR
SCHEMBL9372048 0.75 HMGCR (0.34) MAPTHTTHMGCR
SCHEMBL9327051 0.75 HMGCR (0.42) HMGCRALDH1A1NR1I2
SCHEMBL11387029 0.75 MAPT (0.42) MAPTHTTTSHREGFR
SCHEMBL9309393 0.74 MAPT (0.41) MAPTHTTALDH1A1TSHR
SCHEMBL11400724 0.74 MAPT (0.50) MAPTHTTALDH1A1TSHRKDM4E

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
US-4251539-A HYPOTENSIVE AGENTS, ANTIARRHYTHMIA AGENTS BASF AKTIENGESELLSCHAFT (DE) 1981-02-17 US disclosed