SCHEMBL10698583

SCHEMBL10698583

O=C(O)CNC1c2ccccc2C2CCCC21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
KDM1A O60341 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAOB P27338 1/20 0.33
GLA P06280 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
SCHEMBL10698420 0.97 PPIA (0.52) PPIAPTGDR2ESR1ESR2POLB
SCHEMBL10407009 0.85 PPIA (0.46) PPIAESR1ESR2ALDH1A1HPGD
SCHEMBL10697596 0.83 KDM1A (0.39) PPIAPTGDR2KDM1AMAOB
SCHEMBL10408026 0.82 PPIA (0.49) PPIAPTGDR2ALDH1A1HPGD
SCHEMBL10698703 0.74 ALDH1A1 (0.37) PTGDR2ESR1ESR2POLBALDH1A1
SCHEMBL10408027 0.74 ALDH1A1 (0.37) PTGDR2ESR1ESR2POLBALDH1A1
SCHEMBL9820926 0.73 PPIA (0.45) PPIAALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL9820718 0.72 PPIA (0.44) PPIAALDH1A1MEN1KMT2A
SCHEMBL10699741 0.71 PTGDR2 (0.42) PPIAPTGDR2ALDH1A1HPGDKDM1A
SCHEMBL10703795 0.71 RBP4 (0.40) PTGDR2ALDH1A1HPGDKDM1AMEN1

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-0275603-A1 Tricyclic 1H-imidazole-5-carboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-07-27 EP disclosed