SCHEMBL21392017

SCHEMBL21392017

CCCC/C=C/c1ccc(C)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
ATM Q13315 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 4/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
TNFRSF1A P19438 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL19347351 0.89 MAPT (0.45) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL24800469 0.89 MAPT (0.45) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL16844620 0.80 MAPT (0.48) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL13969499 0.80 MAPT (0.48) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL13226178 0.75 MAPT (0.61) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL7684829 0.74 FAAH (0.44) TDP1PTGS1ALDH1A1HPGDLMNA
SCHEMBL14433026 0.73 PTGS1 (0.59) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL13946976 0.72 MAPT (0.44) MAPTRAB9ANPC1SMN1; SMN2CASP3
SCHEMBL20634195 0.70 MAPT (0.51) MAPTRAB9ANPC1SMN1; SMN2PTGS1
SCHEMBL21392011 0.70 MAPT (0.51) MAPTRAB9ANPC1SMN1; SMN2PTGS1

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
US-11094474-B2 Photoelectric conversion element, dye-sensitized solar cell, metal complex dye, dye composition, and oxide semiconductor electrode FUJIFILM CORPORATION (JP) 2021-08-17 US disclosed
US-20190295779-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE COMPOSITION, AND OXIDE SEMICONDUCTOR ELECTRODE FUJIFILM CORPORATION (JP) 2019-09-26 US disclosed