SCHEMBL29099358

SCHEMBL29099358

C=C(C(=O)O)C(F)(F)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.48
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
PGK1 P00558 1/20 0.41
PGK2 P07205 1/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.40
CES1 P23141 1/20 0.40
CES2 O00748 1/20 0.39
PTPN5 P54829 2/20 0.39
LMNA P02545 1/20 0.39
ACP3 P15309 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL25400919 0.79 KCNN4 (0.47) PTPN1ALDH1A1TSHRMAPTKMT2A
SCHEMBL461095 0.77 KCNN4 (0.48) PTPN1ALDH1A1TSHRMAPTKMT2A
SCHEMBL354556 0.77 CYP1A2 (0.52) PTPN1ALDH1A1TSHRPGK1PGK2
SCHEMBL6666487 0.77 PTPN1 (0.50) PTPN1ALDH1A1TSHRPGK1PGK2
SCHEMBL1563521 0.76 CYP1A2 (0.41) PTPN1ALDH1A1TSHRMAPTKMT2A
SCHEMBL30274469 0.75 CYP1A2 (0.50) PTPN1ALDH1A1TSHRPGK1PGK2
SCHEMBL6967667 0.75 CES1 (0.50) PTPN1ALDH1A1TSHRPGK1PGK2
SCHEMBL11205832 0.75 PTPN1 (0.48) PTPN1ALDH1A1TSHRMAPTKMT2A
SCHEMBL887042 0.75 CYP1A2 (0.50) PTPN1ALDH1A1TSHRPGK1PGK2
SCHEMBL3243938 0.75 PTPN1 (0.48) PTPN1ALDH1A1TSHRPGK1PGK2

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-116568310-A Boric acid compounds 株式会社LG化学 2023-08-08 CN disclosed