SCHEMBL3656274

SCHEMBL3656274

CCCOCCc1ccc(C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.57
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.54
RARA P10276 1/20 0.54
MAPT P10636 1/20 0.54
MTOR P42345 1/20 0.54
KMT2A Q03164 1/20 0.54
TP53 P04637 2/20 0.47
TSHR P16473 1/20 0.47
PLA2G4B P0C869 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL9328524 0.95 RARB (0.66) RARBALDH1A1MEN1RARAMAPT
SCHEMBL10866701 0.90 RARB (0.63) RARBALDH1A1MEN1RARAMAPT
Terephthalic Acid SCHEMBL5179959 0.89 RARB (0.57) RARBALDH1A1KMT2ATP53TSHR
SCHEMBL9260821 0.88 RARB (0.64) RARBALDH1A1MEN1RARAMAPT
SCHEMBL986621 0.87 ALDH1A1 (0.57) RARBALDH1A1MEN1RARAMAPT
SCHEMBL14672531 0.87 RARB (0.65) RARBALDH1A1MEN1RARAMAPT
SCHEMBL9252748 0.87 RARB (0.62) RARBALDH1A1MEN1RARAMAPT
SCHEMBL8775067 0.87 RARB (0.65) RARBALDH1A1MEN1RARAMAPT
SCHEMBL27934597 0.84 ALDH1A1 (0.48) RARBALDH1A1MEN1RARAMAPT
SCHEMBL1749934 0.84 ALDH1A1 (0.57) RARBALDH1A1TP53TSHRPLA2G4B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212282-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 EP disclosed
WO-2009052065-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO disclosed