SCHEMBL7150623

SCHEMBL7150623

CCCCCCCCCCO[C](COCC)OCCC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CES2 O00748 2/20 0.42
EPHX1 P07099 1/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 3/20 0.40
USP2 O75604 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FAAH O00519 1/20 0.37

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
SCHEMBL11513424 0.92 NAAA (0.44) NAAACA12CA1CA2CA9
SCHEMBL582637 0.87 ALDH1A1 (0.44) NAAACA12CA1CA2CA9
SCHEMBL615985 0.83 ALDH1A1 (0.41) NAAACA12CA1CA2CA9
SCHEMBL10766507 0.83 ALDH1A1 (0.35) TSHRHCAR2
SCHEMBL27528360 0.76 NAAA (0.64) NAAACES2EPHX1TSHRHCAR2
SCHEMBL28176067 0.76 NAAA (0.64) NAAACES2EPHX1TSHRHCAR2
SCHEMBL28245822 0.76 NAAA (0.64) NAAACES2EPHX1TSHRHCAR2
SCHEMBL12624852 0.76 TSHR (0.48) NAAACA12CA1CA2CA9
SCHEMBL27706515 0.76 NAAA (0.64) NAAACES2EPHX1TSHRHCAR2
SCHEMBL21470448 0.73 NAAA (0.61) NAAACES2EPHX1TSHRHCAR2

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-6627288-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS, INC. (JP) 2003-09-30 US disclosed