SCHEMBL13423737

SCHEMBL13423737

CCC1(COCCOCc2ccccc2)CO1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
NAAA Q02083 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TACR1 P25103 1/20 0.37
LTA4H P09960 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
CHRM3 P20309 3/20 0.35
CHRM2 P08172 3/20 0.35
CHRM1 P11229 3/20 0.35
HTT P42858 1/20 0.35
SLC6A2 P23975 1/20 0.35
PDE4A P27815 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SOAT1 P35610 1/20 0.33

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
SCHEMBL27620254 0.92 TSHR (0.47) TSHRALDH1A1TACR1TAAR1HTT
SCHEMBL13423738 0.82 L3MBTL1 (0.43) TDP1L3MBTL1
SCHEMBL10371092 0.81 TSHR (0.54) TSHRALDH1A1TACR1TAAR1
SCHEMBL11711887 0.81 TSHR (0.39) TSHRALDH1A1TACR1TAAR1HTT
SCHEMBL13950712 0.81 TSHR (0.39) TSHRNAAAALDH1A1TACR1LTA4H
SCHEMBL27620251 0.79 TACR1 (0.44) TSHRALDH1A1TACR1TAAR1HTT
SCHEMBL9110590 0.77 TSHR (0.41) TSHRNAAAALDH1A1TACR1LTA4H
SCHEMBL11381611 0.76 TACR1 (0.41) TSHRALDH1A1TACR1LTA4HHTT
SCHEMBL8558732 0.76 TSHR (0.47) TSHRALDH1A1TACR1CHRM3CHRM2
SCHEMBL20129243 0.75 TSHR (0.42) TSHRNAAAALDH1A1TACR1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683104-B2 Curable composition, ink composition, inkjet-recording method, and planographic printing plate FUJIFILM CORPORATION (JP) 2010-03-23 US disclosed
US-7683104-B2 Curable composition, ink composition, inkjet-recording method, and planographic printing plate FUJIFILM CORPORATION (JP) 2010-03-23 US disclosed
US-20070206054-A1 Curable composition, ink composition, inkjet-recording method, and planographic printing plate FUJIFILM CORPORATION (JP) 2007-09-06 US disclosed
US-20070206054-A1 Curable composition, ink composition, inkjet-recording method, and planographic printing plate FUJIFILM CORPORATION (JP) 2007-09-06 US disclosed