SCHEMBL29246738

SCHEMBL29246738

CCCOc1cc(OCCC)c(C=O)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
HPGD P15428 3/20 0.45
PTPN1 P18031 5/20 0.43
PRKDC P78527 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ERN1 O75460 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
DPP4 P27487 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL29771743 1.00 LMNA (0.49) LMNAHPGDPTPN1PRKDCALDH1A1
SCHEMBL29771722 0.92 PTPN1 (0.51) LMNAHPGDPTPN1PRKDCALDH1A1
SCHEMBL14048033 0.92 PTPN1 (0.51) LMNAHPGDPTPN1PRKDCALDH1A1
SCHEMBL30584237 0.90 PTPN1 (0.47) LMNAPTPN1PRKDCALDH1A1KDM4E
SCHEMBL29246741 0.90 PTPN1 (0.47) LMNAPTPN1PRKDCALDH1A1KDM4E
SCHEMBL7797947 0.86 LMNA (0.66) LMNAHPGDPRKDCALDH1A1KDM4E
SCHEMBL29771752 0.86 LMNA (0.66) LMNAHPGDPRKDCALDH1A1KDM4E
SCHEMBL31456007 0.85 PRKDC (0.57) LMNAHPGDPTPN1PRKDCALDH1A1
SCHEMBL28648665 0.85 LMNA (0.48) LMNAHPGDPRKDCALDH1A1KDM4E
SCHEMBL2037945 0.85 LMNA (0.56) LMNAHPGDPTPN1PRKDCALDH1A1

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-114853652-B Sulfonium salt compound, preparation method and application thereof, and cationic UV (ultraviolet) curing adhesive 韦尔通科技股份有限公司 2023-08-29 CN disclosed
CN-114853652-A Sulfonium salt compound, preparation method and application thereof, and cationic UV (ultraviolet) curing adhesive 韦尔通(厦门)科技股份有限公司 2022-08-05 CN disclosed