SCHEMBL13744964

SCHEMBL13744964

CC(C)(C)Cc1ccc(CN2C(=O)NC(C)(C)C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.56
POLB P06746 1/20 0.49
ALDH1A1 P00352 8/20 0.45
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 1/20 0.45
GFER P55789 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.42
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
CYP2C19 P33261 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL28558271 0.84 AR (0.56) ARPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL28556498 0.82 ALDH1A1 (0.60) ARPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL28548453 0.82 KDM4E (0.60) ARPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL28566601 0.81 CNR1 (0.56) ARPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL16917804 0.81 AR (0.55) ARPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL19580338 0.81 AR (0.55) ARPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL28569597 0.81 ALDH1A1 (0.66) ARPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL8498625 0.80 KMT2A (0.64) ARPOLBALDH1A1LMNAGFER
Hydrochloric Acid SCHEMBL8112561 0.79 AR (0.53) ARPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL13753311 0.79 AR (0.53) ARPOLBALDH1A1LMNASMN1; 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-20090197084-A1 BIOCIDAL FIBERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-08-06 US disclosed