SCHEMBL14409178

SCHEMBL14409178

C=CC(=O)OCC(O)CN(CC(=O)O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.40
TSHR P16473 3/20 0.37
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.34
ABCB1 P08183 5/20 0.33
THRA P10827 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
ADRB2 P07550 2/20 0.32
ADRB1 P08588 2/20 0.32
ADRB3 P13945 2/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4102932 0.85 LMNA (0.35) TDP1LMNAABCB1ALDH1A1ADRB2
SCHEMBL14382217 0.84 TDP1 (0.36) THRBTSHRTDP1LMNAABCB1
SCHEMBL14409179 0.81 TSHR (0.42) THRBTSHRLMNAABCB1ADRB2
SCHEMBL65014 0.81 TSHR (0.40) TSHRTDP1LMNAABCB1ADRB2
SCHEMBL14798680 0.78 THRB (0.40) THRBTSHRTDP1LMNAABCB1
SCHEMBL28023702 0.77 THRB (0.33) THRBTSHRTDP1LMNAABCB1
SCHEMBL2679520 0.76 GPR174 (0.36) TDP1ABCB1
SCHEMBL13681075 0.76 THRB (0.56) THRBTSHRTDP1ALDH1A1CYP3A4
SCHEMBL13681077 0.74 THRB (0.50) THRBTSHRTDP1ALDH1A1CYP3A4
SCHEMBL13681078 0.74 THRB (0.50) THRBTSHRTDP1ALDH1A1CYP3A4

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
CN-108348869-B Composite semipermeable membrane and method for producing same 东丽株式会社 2021-11-30 CN disclosed
US-20070218404-A1 Infrared-sensitive lithographic printing plate FUJIFILM CORPORATION (JP) 2007-09-20 US disclosed
US-20070218404-A1 Infrared-sensitive lithographic printing plate FUJIFILM CORPORATION (JP) 2007-09-20 US disclosed