SCHEMBL7748398

SCHEMBL7748398

CCCCCCCCCC(CC)SCCCCCCCCCCNC(=O)COc1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 2/20 0.43
EGFR P00533 10/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NR5A1 Q13285 1/20 0.42
ACHE P22303 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL7750800 0.90 KDM4E (0.44) TSHRRECQLALDH1A1EGFRKDM4E
SCHEMBL7750875 0.90 TSHR (0.42) TSHRRECQLALDH1A1EGFRKDM4E
SCHEMBL7749116 0.90 NR5A1 (0.46) ALDH1A1HPGDNR5A1
SCHEMBL7743661 0.87 TSHR (0.42) TSHRRECQLALDH1A1EGFRKDM4E
SCHEMBL7750917 0.86 NR5A1 (0.47) TSHRRECQLMEN1KMT2ANR5A1
SCHEMBL7750807 0.85 CNR2 (0.52) NR5A1
SCHEMBL7195903 0.85 TSHR (0.63) TSHRRECQLALDH1A1EGFRKDM4E
SCHEMBL7195953 0.85 TSHR (0.63) TSHRRECQLALDH1A1EGFRKDM4E
SCHEMBL7750960 0.83 NR5A1 (0.48) TSHRMEN1KMT2ANR5A1
SCHEMBL7747879 0.83 TSHR (0.47) TSHRRECQLALDH1A1EGFRHPGD

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-6184180-B1 COMPRISES SUPPORT, REVERSIBLE HEAT-SENSITIVE RECORDING LAYER CONTAINING DYE PRECURSOR WHICH IS COLORLESS OR A PALE COLOR, COLOR DEVELOPER CAPABLE OF CAUSING REVERSIBLE CHANGE IN COLOR DENSITY OF DYE DUE TO DIFFERENCE IN COOLING RATE MITSUBISHI PAPER MILLS LIMITED (JP) 2001-02-06 US disclosed