SCHEMBL5990487

SCHEMBL5990487

CCOC(=O)Cc1cccc(NC(=O)c2cc(-c3ccccc3)oc2C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
HPGD P15428 5/20 0.58
CYP1A2 P05177 2/20 0.58
ALOX12 P18054 1/20 0.58
MAPT P10636 5/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 3/20 0.52
DGAT1 O75907 1/20 0.49
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
HTT P42858 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
SCHEMBL5994455 0.92 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL3973235 0.89 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL3067821 0.85 S1PR4 (0.54) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL5989232 0.84 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL3064859 0.81 PPARD (0.53) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL6624465 0.81 ALDH1A1 (0.79) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL3976902 0.80 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL3065371 0.79 F2R (0.59) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3065363 0.79 SMO (0.50) ALDH1A1MEN1KMT2ACYP1A2MAPT
SCHEMBL3044614 0.79 SMO (0.50) MEN1KMT2ACYP1A2RAB9APPARG

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-1673360-A1 FURAN DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2006-06-28 EP disclosed
WO-2005037812-A1 FURAN DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2005-04-28 WO disclosed