SCHEMBL18544463

SCHEMBL18544463

CCCCCCCCOc1ccc2c(c1)sc1c2ccc2c3ccc(O)cc3sc21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.55
LTA4H P09960 2/20 0.49
ESR1 P03372 10/20 0.48
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH2 P05091 1/20 0.46
ESR2 Q92731 3/20 0.42
CNR2 P34972 2/20 0.42
TP53 P04637 1/20 0.40
TSHR P16473 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
SCHEMBL19143574 0.92 NR5A1 (0.51) NR5A1LTA4HESR1MEN1NPC1
SCHEMBL347830 0.84 NR5A1 (0.51) NR5A1LTA4HMAPTTP53TSHR
SCHEMBL17037074 0.81 NR5A1 (0.43) NR5A1LTA4HMAPTTP53TSHR
SCHEMBL17037075 0.81 NR5A1 (0.43) NR5A1MEN1NPC1ALDH1A1GAA
SCHEMBL18270688 0.78 ALDH1A1 (0.52) LTA4HESR1MEN1NPC1ALDH1A1
SCHEMBL20402134 0.78 GPR17 (0.45) MEN1MAPTKMT2ATP53
SCHEMBL20402255 0.78 CA12 (0.40) NR5A1NPC1ALDH1A1GAAMAPT
SCHEMBL14997942 0.77 NR5A1 (0.39) NR5A1LTA4HMAPTTP53TSHR
SCHEMBL13562213 0.77 GPBAR1 (0.43) LTA4HNPC1GAARAB9AL3MBTL1
SCHEMBL14164769 0.76 LTA4H (0.49) NR5A1LTA4HALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9905768-B2 Semiconductor device and insulating layer-forming composition FUJIFILM CORPORATION (JP) 2018-02-27 US disclosed
US-9799832-B2 Organic thin-film transistor and method for manufacturing same FUJIFILM CORPORATION (JP) 2017-10-24 US disclosed
US-20170054076-A1 SEMICONDUCTOR DEVICE AND INSULATING LAYER-FORMING COMPOSITION FUJIFILM CORPORATION (JP) 2017-02-23 US disclosed