SCHEMBL8717783

SCHEMBL8717783

C=Cc1c(CCC)ccc2cc3ccccc3cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.38
ATM Q13315 2/20 0.37
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 2/20 0.34
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2A6 P11509 1/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
MTNR1A P48039 2/20 0.33
NR1I2 O75469 1/20 0.33
HTR2C P28335 1/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTR2A P28223 1/20 0.31
THRB P10828 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL8717051 0.91 TLR8 (0.40) ATMCYP1A2GAAMEN1KMT2A
SCHEMBL8715524 0.89 TLR8 (0.41) ALDH1A1HSD17B10GAAMEN1KMT2A
SCHEMBL8741109 0.88 THRA (0.43) ALDH1A1HSD17B10GAAMEN1KMT2A
SCHEMBL29266155 0.88 THRA (0.43) ALDH1A1HSD17B10GAAMEN1KMT2A
SCHEMBL29266169 0.88 THRA (0.43) ALDH1A1HSD17B10GAAMEN1KMT2A
SCHEMBL8718986 0.88 THRA (0.43) ALDH1A1HSD17B10GAAMEN1KMT2A
SCHEMBL8715352 0.87 CYP1A2 (0.40) ATMALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL4525804 0.85 ATM (0.43) GPR84ATMALDH1A1HSD17B10CYP2A6
SCHEMBL6402798 0.82 ALDH1A1 (0.35) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL8713224 0.81 HPRT1 (0.45) GPR84ATMALDH1A1HSD17B10HIF1A

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