SCHEMBL13046003

SCHEMBL13046003

COC(c1ccc(-n2c(C)ccc2C)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
ALDH1A1 P00352 6/20 0.41
HTT P42858 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
PTGS2 P35354 1/20 0.38
RORC P51449 3/20 0.38
NR1I2 O75469 1/20 0.38
HPGD P15428 3/20 0.38
APEX1 P27695 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL2822708 0.77 NR1H2 (0.45) MAPTHTTMEN1KMT2AHSD17B10
SCHEMBL13046004 0.74 NR1H2 (0.50) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL3819337 0.71 KIF11 (0.45) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL13167610 0.70 NR1H4 (0.51) MAPTALDH1A1HTTKDM4EMEN1
SCHEMBL10890440 0.70 NR1H2 (0.54) ALDH1A1ALOX15MAPK1NR1H2NR1H3
SCHEMBL31125245 0.68 MAPT (0.48) MAPTALDH1A1HTTKDM4EMEN1
SCHEMBL31125247 0.67 MAPT (0.48) MAPTALDH1A1HTTKDM4EMEN1
SCHEMBL2823641 0.67 RORC (0.43) ALDH1A1MEN1KMT2ANR1H2NR1H3
SCHEMBL8924910 0.66 NPC1 (0.53) MAPTALDH1A1HTTKDM4EMEN1
SCHEMBL18275111 0.66 SRD5A2 (0.52) ALDH1A1MEN1KMT2ATP53NR1H2

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
WO-2010138879-A1 COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO TRPA1 HYDRA BIOSCIENCES, INC. (US) 2010-12-02 WO disclosed