SCHEMBL7423385

SCHEMBL7423385

CCCc1cc2ccc(CC(=O)OC(C)=O)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.43
MTNR1B P49286 3/20 0.43
DAO P14920 1/20 0.38
ITK Q08881 1/20 0.36
KDM4E B2RXH2 3/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
PPARG P37231 1/20 0.34
VCP P55072 1/20 0.34
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
CYP2D6 P10635 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
SCHEMBL7418770 0.87 MTNR1A (0.47) MTNR1AMTNR1BDAOKDM4ETSHR
SCHEMBL7469548 0.86 KDM4E (0.42) MTNR1AMTNR1BDAOKDM4ETSHR
SCHEMBL7418610 0.82 PPARG (0.48) MTNR1AMTNR1BDAOKDM4ETSHR
SCHEMBL10646766 0.81 KDM4E (0.47) MTNR1AMTNR1BDAOITKKDM4E
SCHEMBL7417442 0.75 MTNR1A (0.41) MTNR1AMTNR1BTSHRKDM5AKDM5B
SCHEMBL5981755 0.71 CASP3 (0.51) MTNR1AMTNR1BITKKDM4EALDH1A1
SCHEMBL7420510 0.70 KMT2A (0.53) MTNR1AMTNR1BKDM4EALDH1A1MEN1
SCHEMBL16729160 0.69 ALOX15 (0.52) DAOKDM4ETSHRALDH1A1MEN1
SCHEMBL27475142 0.68 MAPT (0.51) DAOITKKDM4ETSHRALDH1A1
SCHEMBL8555547 0.68 MTNR1A (0.46) MTNR1AMTNR1BKDM4ETSHRKDM5A

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-1996032379-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-17 WO disclosed