SCHEMBL8514712

SCHEMBL8514712

CC(C)c1cc(-c2cccc(N3CCNCC3)n2)ccc1OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.41
PIM1 P11309 14/20 0.40
PIM2 Q9P1W9 5/20 0.39
PRKD1 Q15139 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39
KARS1 Q15046 2/20 0.39
FPR2 P25090 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCD Q05655 1/20 0.38
PIM3 Q86V86 4/20 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 SCHEMBL8533671 0.99 ASIC3 (0.40) ASIC3PIM1PIM2PRKD1PRKD2
SCHEMBL8512231 0.92 ASIC3 (0.41) ASIC3PIM1PIM2PRKD1PRKD2
Hydrochloric Acid SCHEMBL8530178 0.91 ASIC3 (0.40) ASIC3PIM1PIM2PRKD1PRKD2
SCHEMBL8511499 0.84 S1PR1 (0.43) PIM1PIM2PRKD1PRKD2KARS1
Hydrochloric Acid SCHEMBL8512803 0.83 S1PR1 (0.42) PIM1PIM2PRKD1PRKD2KARS1
SCHEMBL8515252 0.83 IRAK4 (0.42) PIM1PIM2KARS1PRKCAPRKCQ
Hydrochloric Acid SCHEMBL8513679 0.82 IRAK4 (0.41) PIM1PIM2KARS1PRKCAPRKCQ
SCHEMBL8533609 0.82 KARS1 (0.41) PIM1PIM2PRKD1PRKD2KARS1
SCHEMBL8514410 0.82 PIM1 (0.43) PIM1PIM2PRKD1PRKD2KARS1
SCHEMBL8514673 0.81 HTR3E (0.47) PIM1PIM2KARS1PRKCAPRKCQ

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