SCHEMBL9849476

SCHEMBL9849476

Cc1ccccc1C1OO1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ACHE P22303 2/20 0.45
HTR2C P28335 5/20 0.44
HTR2A P28223 3/20 0.44
HTR2B P41595 3/20 0.44
TAAR1 Q96RJ0 1/20 0.41
PBRM1 Q86U86 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
ALDH1A1 P00352 3/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL687579 0.80 HTR2C (0.41) TSHRACHEHTR2CHTR2AHTR2B
SCHEMBL6590588 0.78 HTR2C (0.44) TSHRACHEHTR2CHTR2AHTR2B
SCHEMBL14012479 0.78 HTR2C (0.40) TSHRACHEHTR2CHTR2AHTR2B
SCHEMBL9946124 0.77 NPSR1 (0.41) TSHRACHEHTR2CHTR2AHTR2B
SCHEMBL3083610 0.75 HTR2C (0.42) TSHRACHEHTR2CHTR2AHTR2B
SCHEMBL2884155 0.72 HTR2C (0.36) TSHRACHEHTR2CHTR2AHTR2B
SCHEMBL6907952 0.72 ACHE (0.43) TSHRACHEHTR2CHTR2AHTR2B
SCHEMBL6907948 0.72 ACHE (0.43) TSHRACHEHTR2CHTR2AHTR2B
SCHEMBL17393757 0.70 ACHE (0.47) TSHRACHEHTR2CHTR2AHTR2B
SCHEMBL8525267 0.70 TAAR1 (0.52) TSHRACHEHTR2CHTR2AHTR2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0453275-A1 Process for producing epoxy compound NIPPON OIL CO. LTD. (JP) 1991-10-23 EP claimed
EP-0453275-A1 Process for producing epoxy compound NIPPON OIL CO. LTD. (JP) 1991-10-23 EP disclosed