SCHEMBL31574484

SCHEMBL31574484

O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 2/20 1.00
MAPT P10636 6/20 0.78
RAB9A P51151 3/20 0.78
NPC1 O15118 2/20 0.78
NPSR1 Q6W5P4 1/20 0.78
MAOB P27338 4/20 0.71
MAOA P21397 2/20 0.71
STAT3 P40763 1/20 0.65
KDM4E B2RXH2 2/20 0.64
CYP2D6 P10635 2/20 0.64
ALDH1A1 P00352 2/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
PLK1 P53350 1/20 0.62
CYP1A1 P04798 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP1B1 Q16678 1/20 0.60
TRPV1 Q8NER1 1/20 0.60

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
SCHEMBL31574495 0.92 MAOA (0.85) CXCL12MAPTRAB9ANPC1NPSR1
SCHEMBL16052573 0.92 MAOB (0.85) CXCL12MAPTRAB9ANPC1NPSR1
SCHEMBL16052572 0.92 MAOB (0.85) CXCL12MAPTRAB9ANPC1NPSR1
SCHEMBL25203580 0.87 MAPT (1.00) CXCL12MAPTRAB9ANPC1NPSR1
SCHEMBL31233188 0.87 MAPT (1.00) CXCL12MAPTRAB9ANPC1NPSR1
SCHEMBL25206778 0.87 MAPT (1.00) CXCL12MAPTRAB9ANPC1NPSR1
SCHEMBL30383393 0.87 MAPT (1.00) CXCL12MAPTRAB9ANPC1NPSR1
SCHEMBL31574565 0.84 MAPT (0.85) CXCL12MAPTRAB9ANPC1NPSR1
SCHEMBL3740801 0.83 MAPT (0.72) CXCL12MAPTRAB9ANPC1NPSR1
SCHEMBL25195729 0.82 RAB9A (0.74) CXCL12MAPTRAB9ANPC1NPSR1

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
CN-119998272-A Methanogen inhibitors 阿格里泽伦茨有限合伙公司 2025-05-13 CN disclosed