SCHEMBL7782968

SCHEMBL7782968

C=CCN(CC=C)C(=Cc1ccccc1)S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 1/20 0.41
ESR1 P03372 1/20 0.39
POLB P06746 1/20 0.37
HPGD P15428 2/20 0.37
ALOX12 P18054 2/20 0.37
LMNA P02545 1/20 0.37
CCR6 P51684 1/20 0.37
S1PR1 P21453 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
C5AR1 P21730 1/20 0.34
PKM P14618 1/20 0.34
F2 P00734 1/20 0.34
KLK1 P06870 1/20 0.34

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
SCHEMBL9811808 0.75 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2CYP1A2ESR1POLB
SCHEMBL8058759 0.74 TRPM8 (0.37) ALDH1A1ESR1HTT
SCHEMBL9811807 0.73 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2CYP1A2POLBHPGD
SCHEMBL4940758 0.73 CYP1A2 (0.45) ALDH1A1SMN1; SMN2CYP1A2ESR1POLB
SCHEMBL8913897 0.70 TSHR (0.45) ALDH1A1SMN1; SMN2HTT
SCHEMBL8113061 0.70 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CYP1A2POLBHPGD
SCHEMBL12512277 0.69 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CYP1A2POLBHPGD
SCHEMBL12512396 0.69 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CYP1A2POLBHPGD
SCHEMBL1244502 0.68 TSHR (0.39) ALDH1A1SMN1; SMN2
SCHEMBL8048320 0.68 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2POLBHPGDLMNA

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
EP-0736582-B1 Ink, ink-jet recording process and apparatus using the same CANON KK (JP) 2001-10-10 EP disclosed
US-6174354-B1 AMPHOTERIC POLYMER HAVING BOTH ANIONIC AND CATIONIC GROUPS. CANON KABUSHIKI KAISHA (JP) 2001-01-16 US disclosed
EP-0736582-A2 Ink, ink-jet recording process and apparatus using the same CANON KABUSHIKI KAISHA (JP) 1996-10-09 EP disclosed