SCHEMBL28048089

SCHEMBL28048089

C=CCOCC(O)COc1c(Br)cc(CCC)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.42
THRA P10827 7/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 3/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL11216795 0.84 CA1 (0.45) THRBTHRASMN1; SMN2ALDH1A1CA1
SCHEMBL4378900 0.80 LMNA (0.46) THRBTHRASMN1; SMN2ALDH1A1KMT2A
SCHEMBL15305607 0.70 KMT2A (0.50) THRBSMN1; SMN2ALDH1A1TSHRNPC1
SCHEMBL14655656 0.69 CA1 (0.47) SMN1; SMN2ALDH1A1CA1CA2CA7
SCHEMBL4082525 0.69 ALDH1A1 (0.60) THRBTHRAALDH1A1HRH3
SCHEMBL11401134 0.69 TSHR (0.45) THRBTHRASMN1; SMN2ALDH1A1TSHR
SCHEMBL16001938 0.68 S1PR1 (0.57) THRBTHRASMN1; SMN2ALDH1A1TP53
SCHEMBL497334 0.68 CA1 (0.74) SMN1; SMN2ALDH1A1CA1CA2CA7
SCHEMBL24933345 0.68 CYP2D6 (0.50) SMN1; SMN2ALDH1A1CA1CA2CA7
SCHEMBL24933047 0.68 CYP2D6 (0.50) SMN1; SMN2ALDH1A1CA1CA2CA7

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
CN-105175608-B A kind of high index of refraction lens resin monomer 寿光市鲁源盐化有限公司 2017-07-14 CN disclosed
CN-105175608-A High-refractivity lens resin monomer SHOUGUANG LUYUAN SALT CHEMICAL CO LTD 2015-12-23 CN disclosed