SCHEMBL2631798

SCHEMBL2631798

CSc1c(C(C)(C)C)cc(C)cc1C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 4/20 0.52
CA2 P00918 2/20 0.52
POLB P06746 1/20 0.52
TYR P14679 1/20 0.52
HSPA5 P11021 1/20 0.42
HIF1A Q16665 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2D6 P10635 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 3/20 0.35
CYP1A2 P05177 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ATP2A2 P16615 1/20 0.35
ATP2A3 Q93084 1/20 0.35
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 2/20 0.33

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
SCHEMBL24344714 0.89 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL14640959 0.80 GABRA1 (0.39) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL7047479 0.78 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL24344713 0.75 POLB (0.41) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL28589809 0.74 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL6130258 0.73 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL14606644 0.71 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL434782 0.70 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL7033950 0.70 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL24344711 0.69 CYP1A2 (0.38) SMN1; SMN2ALDH1A1HIF1ACYP2D6ALOX15

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
EP-2445051-A1 PHOTOELECTRIC ELEMENT Panasonic Electric Works Co., Ltd. (JP) 2012-04-25 EP disclosed