SCHEMBL5989232

SCHEMBL5989232

CCOC(=O)Cc1cccc(NC(=O)c2cc(Br)oc2C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
LMNA P02545 1/20 0.48
F2R P25116 1/20 0.48
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 4/20 0.45
HPGD P15428 1/20 0.44
MAPT P10636 4/20 0.44
GLA P06280 1/20 0.44
PKM P14618 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3969336 0.87 SMN1; SMN2 (0.54) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL3050248 0.84 ALDH1A1 (0.72) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL5990487 0.84 ALDH1A1 (0.63) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL5994455 0.82 ALDH1A1 (0.53) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL3055459 0.81 RAB9A (0.49) ALDH1A1LMNAF2RRAB9ASMN1; SMN2
SCHEMBL5988040 0.80 NPC1 (0.49) ALDH1A1LMNAF2RRAB9ASMN1; SMN2
SCHEMBL3059121 0.79 KMT2A (0.56) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL3064657 0.79 LRRK2 (0.49) LMNAF2RRAB9ASMN1; SMN2NPC1
SCHEMBL3054663 0.79 PARP1 (0.50) ALDH1A1LMNAF2RSMN1; SMN2HPGD
SCHEMBL3059887 0.79 RAB9A (0.53) ALDH1A1F2RRAB9AMAPTMEN1

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