SCHEMBL4377009

SCHEMBL4377009

CC(C)(Cc1c[nH]c2ccc(CO)cc12)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ HPGD P15428 3/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ NPSR1 Q6W5P4 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ NFKB1 P19838 2/20 0.40
▸ PMP22 Q01453 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ HTR1A P08908 2/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39

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
SCHEMBL28918253 0.81 HTR1D (0.42) MTNR1AMTNR1BALDH1A1NPSR1KDM4E
SCHEMBL27099115 0.76 ALDH1A1 (0.68) HPGDCYP2C19ALDH1A1NPSR1KDM4E
SCHEMBL10550018 0.75 LTA4H (0.60) MTNR1AMTNR1BHPGDALDH1A1NPSR1
SCHEMBL28665575 0.75 CYP4F2 (0.42) HPGDCYP2C19ALDH1A1KDM4ECYP2C9
SCHEMBL4500910 0.73 MTNR1A (0.62) MTNR1AMTNR1BCYP2C19TSHRMAPT
SCHEMBL29190392 0.73 PTGS2 (0.38) HTR1AHTR1DHTR1BKMT2AICMT
SCHEMBL16791392 0.73 HPGD (0.68) HPGDCYP2C19ALDH1A1NPSR1KDM4E
SCHEMBL29026421 0.72 GSK3B (0.42) ICMT
SCHEMBL14493805 0.72 MTNR1A (0.72) MTNR1AMTNR1BHPGDCYP2C19ALDH1A1
SCHEMBL31543734 0.72 MTNR1A (0.72) MTNR1AMTNR1BHPGDCYP2C19ALDH1A1

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-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 — — EP disclosed
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