SCHEMBL11801320

SCHEMBL11801320

C=C(C)C(=O)OCCCCOc1c(Br)c(Br)c(Br)c(Br)c1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
TDP1 Q9NUW8 2/20 0.52
POLB P06746 1/20 0.52
APEX1 P27695 1/20 0.52
HTT P42858 1/20 0.52
THRB P10828 5/20 0.47
THRA P10827 4/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
CA2 P00918 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA1 P00915 1/20 0.32
GAA P10253 1/20 0.32
ESR1 P03372 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL9719502 0.90 THRB (0.55) TSHRTDP1POLBAPEX1HTT
SCHEMBL11812323 0.80 TSHR (0.54) TSHRTDP1POLBAPEX1HTT
SCHEMBL5144090 0.80 TSHR (0.79) TSHRTDP1POLBAPEX1HTT
SCHEMBL25426 0.80 TSHR (0.79) TSHRTDP1POLBAPEX1HTT
SCHEMBL10604787 0.80 TSHR (0.46) TSHRTDP1POLBAPEX1HTT
SCHEMBL15302575 0.79 TDP1 (0.55) TSHRTDP1POLBAPEX1HTT
SCHEMBL9580207 0.78 THRB (0.46) TSHRTDP1POLBAPEX1HTT
SCHEMBL22554429 0.78 TSHR (0.83) TSHRTDP1POLBAPEX1HTT
SCHEMBL22023212 0.78 TSHR (0.83) TSHRTDP1POLBAPEX1HTT
SCHEMBL5607699 0.78 TSHR (0.83) TSHRTDP1POLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3932321-A HOMO- AND COPOLYMERS OF HALOPHENYL ACRYLATES JAPAN SYNTHETIC RUBBER COMPANY LIMITED (JA) 1976-01-13 US claimed
US-3932321-A HOMO- AND COPOLYMERS OF HALOPHENYL ACRYLATES JAPAN SYNTHETIC RUBBER COMPANY LIMITED (JA) 1976-01-13 US disclosed