SCHEMBL28965448

SCHEMBL28965448

CCC(c1ccccc1)[n+]1cc[nH]c1.F[B-](F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
HKDC1 Q2TB90 1/20 0.32
TRPA1 O75762 1/20 0.32
TSHR P16473 2/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL28965428 0.91 LMNA (0.34) LMNAHKDC1TRPA1TSHRHTR2A
SCHEMBL4578055 0.81 AOC3 (0.36) LMNATRPA1HTR2AHRH1POLB
SCHEMBL2832101 0.77 LMNA (0.34) LMNAHTR2AHRH1
SCHEMBL5282777 0.74 LMNA (0.45) LMNAHKDC1TRPA1TSHRHTR2A
SCHEMBL11318850 0.71 KMT2A (0.36) LMNATRPA1TSHRHTR2ACYP3A4
SCHEMBL5292306 0.69 LMNA (0.41) LMNATSHRHTR2AHRH1POLB
SCHEMBL5302177 0.69 TP53 (0.48) LMNATSHRHTR2AHRH1POLB
SCHEMBL1503494 0.69 LMNA (0.37) LMNATSHRHTR2AHRH1POLB
SCHEMBL5328939 0.68 CRHBP (0.40) LMNATRPA1TSHRHTR2AHRH1
Hydrochloric Acid SCHEMBL1880314 0.68 LMNA (0.36) LMNATSHRHTR2AHRH1POLB

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-115745946-A Low-temperature preparation method of glycolide-lactide 中国科学院长春应用化学研究所 2023-03-07 CN disclosed