SCHEMBL11079472

SCHEMBL11079472

COc1cc(C)c(CC#N)cc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
INSR P06213 1/20 0.34
ALK Q9UM73 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL957051 0.81 MAPT (0.47) GAAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL12425507 0.80 POLB (0.56) POLBGAAGFERKDM4EMEN1
SCHEMBL14036774 0.79 GAA (0.51) POLBGAAGFERKDM4EMEN1
SCHEMBL5014668 0.78 POLB (0.59) POLBGAAGFERMEN1ALDH1A1
SCHEMBL10603583 0.78 P2RX3 (0.44) POLBGAAGFERKDM4EALDH1A1
SCHEMBL15927485 0.77 ALDH1A1 (0.37) POLBGAAGFERALDH1A1TSHR
SCHEMBL16526908 0.75 TAAR1 (0.43) GAAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL20969580 0.75 TAAR1 (0.57) POLBGAAGFERTAAR1
SCHEMBL14036532 0.75 POLB (0.54) POLBGAAGFERKDM4EMEN1
SCHEMBL6852792 0.74 POLB (0.68) POLBGAAGFERKDM4EMEN1

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-4435397-A ADRENERGIC BLOCKING AGENTS, 4-(3-ARYLOXY-2-HYDROXYPROPYL) SUBSTITUTED NIPPON SHINYAKU CO., LTD. (JP) 1984-03-06 US disclosed