SCHEMBL8556630

SCHEMBL8556630

CCc1c(CC(C)CO)c2ccc(C(N)=O)cc2n1Cc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.45
DPP4 P27487 3/20 0.40
TP53 P04637 3/20 0.38
LMNA P02545 1/20 0.38
MAP3K14 Q99558 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PLA2G2A P14555 1/20 0.37
F2RL3 Q96RI0 2/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7416231 0.88 ALOX5AP (0.44) ALOX5APDPP4TP53LMNAMAP3K14
SCHEMBL7420321 0.82 ALOX5AP (0.48) ALOX5APDPP4TP53ALDH1A1MEN1
SCHEMBL7428583 0.81 ALOX5AP (0.45) ALOX5APDPP4TP53ALDH1A1MEN1
SCHEMBL7426815 0.81 ALOX5AP (0.45) ALOX5APDPP4TP53LMNAMAP3K14
SCHEMBL7471798 0.80 L3MBTL1 (0.48) ALOX5APDPP4TP53LMNAMAP3K14
SCHEMBL7418878 0.79 ALDH1A1 (0.53) ALOX5APDPP4TP53LMNAMAP3K14
SCHEMBL7420966 0.79 ALOX5AP (0.44) ALOX5APDPP4TP53LMNAMAP3K14
SCHEMBL7418329 0.79 SLC22A12 (0.50) ALOX5APDPP4TP53ALDH1A1MEN1
SCHEMBL7467575 0.78 ALOX5AP (0.51) ALOX5APDPP4TP53ALDH1A1MEN1
SCHEMBL7426945 0.78 ALOX5AP (0.54) ALOX5APDPP4TP53ALDH1A1MEN1

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
EP-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed