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SCHEMBL6825074

SCHEMBL6825074

Cc1cc(C(C)(C)C)c(OC(c2c(C(C)(C)C)cc(C)cc2C(C)(C)C)C(CO)(COP(=O)(O)O)COP(=O)(O)O)c(C(C)(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.32
▸ S1PR3 Q99500 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ TYR P14679 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5931714 0.98 S1PR1 (0.32) S1PR1S1PR3ALDH1A1CA2POLB
Phosphoric Acid SCHEMBL5931716 0.89 SMN1; SMN2 (0.34) ALDH1A1CA2POLBTYRSMN1; SMN2
Phosphoric Acid SCHEMBL6825076 0.89 SMN1; SMN2 (0.34) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL472658 0.89 BTN3A1 (0.31) —
Pyrophosphoric Acid SCHEMBL472659 0.88 HSPA5 (0.33) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL77036 0.85 SMN1; SMN2 (0.39) ALDH1A1CA2POLBTYRSMN1; SMN2
Phosphine SCHEMBL3163238 0.83 SMN1; SMN2 (0.38) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL313283 0.81 SMN1; SMN2 (0.36) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL192004 0.81 SMN1; SMN2 (0.36) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL28640046 0.81 SMN1; SMN2 (0.32) ALDH1A1CA2POLBTYRSMN1; SMN2

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
US-6705725-B2 NO WELD LINE IN EYEGLASS LENS TEIJIN CHEMICALS, LTD. (JP) 2004-03-16 — — US disclosed