SCHEMBL11219967

SCHEMBL11219967

Cc1cc(C(C)(C)C)c(C(Oc2ccccc2)C(CO)(CO)COP(=O)(O)OP(=O)(O)O)c(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
BTN3A1 O00481 2/20 0.32
FNTA P49354 2/20 0.31
FNTB P49356 2/20 0.31
S1PR1 P21453 2/20 0.31
P2RY2 P41231 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
Pyrophosphoric Acid SCHEMBL11219971 0.90 ACP3 (0.32) ALDH1A1
SCHEMBL472658 0.88 BTN3A1 (0.31) BTN3A1
SCHEMBL997810 0.82 SMN1; SMN2 (0.35) ALDH1A1
SCHEMBL125362 0.81 POLB (0.40) ALDH1A1BTN3A1FNTAFNTBS1PR1
SCHEMBL12980963 0.80 BTN3A1 (0.31) BTN3A1
SCHEMBL3635253 0.79
SCHEMBL5931714 0.79 S1PR1 (0.32) ALDH1A1S1PR1
SCHEMBL9578946 0.77
SCHEMBL6825074 0.76 S1PR1 (0.32) ALDH1A1S1PR1
Pyrophosphoric Acid SCHEMBL472659 0.76 HSPA5 (0.33) ALDH1A1

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
JP-57016043-A None JP disclosed
JP-S5716043-A STABILIZED HALOGEN-CONTAINING RESIN COMPOSITION ADEKA ARGUS CHEM CO LTD 1982-01-27 JP disclosed