SCHEMBL8359846

SCHEMBL8359846

Cc1cc(C(C)(C)C)c(-c2cccc(P(O)O)c2-c2c(C(C)(C)C)cc(C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
CA2 P00918 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
HSPA5 P11021 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL2680009 0.88 CYP1A2 (0.33) CA2ALDH1A1CYP2C9CYP2C19TSHR
SCHEMBL8357982 0.87 CA2 (0.41) CA2ALDH1A1GABRA1GABRB2TSHR
SCHEMBL6549339 0.78 ALDH1A1 (0.39) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL10605861 0.78 SMN1; SMN2 (0.36) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL2679926 0.77 PDK2 (0.36) ALDH1A1TSHRTDP1
SCHEMBL11300507 0.77 ALDH1A1 (0.35) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL10938205 0.75 ALDH1A1 (0.47) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL4154405 0.74 TSHR (0.37) CA2ALDH1A1CYP2C9CYP2C19GABRA1
SCHEMBL10605858 0.74 ALDH1A1 (0.34) SMN1; SMN2CA2ALDH1A1POLBTYR
SCHEMBL11486500 0.74 IDO1 (0.33) SMN1; SMN2CA2ALDH1A1POLBTYR

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
US-5945243-A COATING PHOTOCONDUCTIVE FILM(CONTAINING A CHARGE TRANSPORT AGENT)ONTO A CONDUCTIVE SUBSTRATE FUJI ELECTRIC CO., LTD (JP) 1999-08-31 US claimed
US-5945243-A COATING PHOTOCONDUCTIVE FILM(CONTAINING A CHARGE TRANSPORT AGENT)ONTO A CONDUCTIVE SUBSTRATE FUJI ELECTRIC CO., LTD (JP) 1999-08-31 US disclosed
US-5945243-A COATING PHOTOCONDUCTIVE FILM(CONTAINING A CHARGE TRANSPORT AGENT)ONTO A CONDUCTIVE SUBSTRATE FUJI ELECTRIC CO., LTD (JP) 1999-08-31 US disclosed