SCHEMBL8515374

SCHEMBL8515374

CC1(C)CCC(C)(C)c2cc(-c3cccc(-c4ccc(C5(N)CCC5)cc4)n3)ccc21

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.60
RARA P10276 3/20 0.60
RARG P13631 4/20 0.46
AKT1 P31749 13/20 0.42
AKT2 P31751 7/20 0.42
RXRA P19793 1/20 0.38
AKT3 Q9Y243 1/20 0.38

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
Hydrochloric Acid SCHEMBL8514603 0.99 RARA (0.58) RARBRARARARGAKT1AKT2
Hydrochloric Acid SCHEMBL8612658 0.99 RARA (0.58) RARBRARARARGAKT1AKT2
SCHEMBL8511696 0.84 RARB (0.44) RARBRARARARGAKT1AKT2
Hydrochloric Acid SCHEMBL8515237 0.83 RARB (0.44) RARBRARARARGAKT1AKT2
SCHEMBL8513591 0.81 RARA (0.38) RARBRARARARGAKT1AKT2
SCHEMBL8511470 0.80 RARB (0.64) RARBRARARARGRXRA
Hydrochloric Acid SCHEMBL8510905 0.80 RARA (0.38) RARBRARARARGAKT1AKT2
SCHEMBL8514830 0.80 RARA (0.40) RARBRARARARGAKT1AKT2
SCHEMBL2225102 0.77 RARA (0.60) RARBRARARARGRXRA
SCHEMBL8515775 0.77 RARA (0.64) RARBRARARARGAKT1RXRA

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
WO-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 WO claimed
WO-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 WO disclosed