SCHEMBL8711987

SCHEMBL8711987

C=Cc1c(CCCCCC)ccc2c1ccc1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 6/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 4/20 0.41
HTT P42858 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.41
RAD52 P43351 1/20 0.41

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
SCHEMBL9088482 0.99 HPRT1 (0.41) THRATHRBMAPTGAAKDM4E
SCHEMBL8715047 0.94 GAA (0.43) THRATHRBGAAKDM4EALDH1A1
SCHEMBL9572167 0.93 THRA (0.46) THRATHRBMAPTGAAKDM4E
SCHEMBL9572170 0.93 THRA (0.46) THRATHRBMAPTGAAKDM4E
SCHEMBL29497339 0.93 THRA (0.46) THRATHRBMAPTGAAKDM4E
SCHEMBL8712813 0.93 THRA (0.46) THRATHRBMAPTGAAKDM4E
SCHEMBL8712775 0.91 GAA (0.46) THRATHRBMAPTGAAKDM4E
SCHEMBL8713224 0.88 HPRT1 (0.45) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL5160817 0.86 GAA (0.50) THRATHRBGAAKDM4EALDH1A1
SCHEMBL8741109 0.83 THRA (0.43) THRATHRBMAPTGAAKDM4E

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-RE35773-E SILOXANE-ADDITION POLYMER COMPOSITE NIPPON SHOKUBAI CO., LTD. (JP) 1998-04-21 US disclosed
US-5558803-A ADDITION-CONDENSATION GRAFT COPOLYMERS FOR DIELECTRIC PARTICLES AND INSULATING LIQUIDS NIPPON SHOKUBAI CO., LTD. (JP) 1996-09-24 US disclosed
US-5376294-A A dielectric particle and a polysiloxane/acrylic ester additive in a dielectric dispersant medium; large shear stress and low current density; stability; nonsettling NIPPON SHOKUBAI CO., LTD. (JP) 1994-12-27 US disclosed