SCHEMBL28835751

SCHEMBL28835751

CC(C)COOB(O)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
XBP1 P17861 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
MAOA P21397 1/20 0.35
PTGS1 P23219 1/20 0.35
MTNR1A P48039 4/20 0.35
MTNR1B P49286 4/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
CYP2D6 P10635 1/20 0.35
ADRB3 P13945 1/20 0.35
MEN1 O00255 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
ANPEP P15144 1/20 0.33
LAP3 P28838 1/20 0.33

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
SCHEMBL28848860 0.83 LMNA (0.36) LMNAALDH1A1TSHRMAOAPTGS1
SCHEMBL4851452 0.82 LMNA (0.44) LMNAHPGDMAPTPOLBXBP1
SCHEMBL29221508 0.80 LTA4H (0.38) LMNAHPGDMAPTALDH1A1
SCHEMBL27945071 0.77 LTA4H (0.38) LMNAHPGDMAPTALDH1A1TSHR
SCHEMBL20678528 0.77 LMNA (0.37) LMNAALDH1A1TSHRMAOAPTGS1
SCHEMBL28115029 0.75 TSHR (0.40) LMNAALDH1A1TSHRPTGS1
SCHEMBL19893832 0.75 LMNA (0.40) LMNAHPGDMAPTPOLBXBP1
SCHEMBL4769224 0.74 CA4 (0.42) LMNAHPGDALDH1A1TSHR
SCHEMBL28126445 0.72 HDAC1 (0.34) LMNAMAPTXBP1ALDH1A1TSHR
SCHEMBL1878004 0.72 CA1 (0.46) LMNAALDH1A1TSHRMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106008375-A Preparation method of novel liquid crystal display enhancing luminescence agent 昆山海卓生物医药有限公司 2016-10-12 CN disclosed