SCHEMBL7876494

SCHEMBL7876494

CCC(c1ccccc1O)(c1ccccc1O)c1ccccc1CCCc1ccccc1O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 6/20 0.42
SLC6A4 P31645 2/20 0.42
HTR1A P08908 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
TSHR P16473 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MGLL Q99685 1/20 0.40
HSPA5 P11021 1/20 0.38
IAPP P10997 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL7804653 0.88 HTR1A (0.44) MPOSLC6A4HTR1ATAAR1TSHR
SCHEMBL505600 0.82 TSHR (0.56) HTR1ATSHRALDH1A1TDP1HSPA5
SCHEMBL29372814 0.82 TSHR (0.56) HTR1ATSHRALDH1A1TDP1HSPA5
SCHEMBL7809714 0.80 TSHR (0.47) MPOSLC6A4HTR1ATAAR1TSHR
SCHEMBL4967651 0.76 TAAR1 (0.65) MPOSLC6A4HTR1ATAAR1TSHR
SCHEMBL7876813 0.75 MPO (0.44) MPOSLC6A4HTR1ATAAR1TSHR
SCHEMBL6706198 0.74 TSHR (0.58) MPOSLC6A4HTR1ATAAR1TSHR
SCHEMBL10438887 0.74 TAAR1 (0.62) MPOSLC6A4HTR1ATAAR1TSHR
Ethyne SCHEMBL4194758 0.73 HTR1A (0.56) MPOSLC6A4HTR1ATAAR1TSHR
SCHEMBL1839662 0.73 TSHR (0.43) HTR1ATSHRALDH1A1TDP1IAPP

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-6316170-B2 COATING, EXPOSURE, DEVELOPMENT AND HEAT TREATMENT KABUSHIKI KAISHA TOSHIBA (JP) 2001-11-13 US disclosed