SCHEMBL30106702

SCHEMBL30106702

O=C1C(=Cc2ccc(C(=O)O)cc2)CCCC1=Cc1ccc(C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 1.00
HPGD P15428 1/20 1.00
HTT P42858 1/20 1.00
F2 P00734 14/20 0.68
F10 P00742 13/20 0.66
F3 P13726 2/20 0.66
HSD11B1 P28845 2/20 0.66
CYP2C9 P11712 1/20 0.66
CYP1A2 P05177 2/20 0.65
MGAM O43451 1/20 0.63
GAA P10253 1/20 0.63
SI P14410 1/20 0.63
MGAM2 Q2M2H8 1/20 0.63
PLAU P00749 1/20 0.61
HPN P05981 1/20 0.61

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
SCHEMBL8947492 0.83 HTT (0.71) MAPTHPGDHTTF2F10
SCHEMBL8947490 0.83 HTT (0.71) MAPTHPGDHTTF2F10
SCHEMBL10425643 0.80 MAPT (0.67) MAPTHPGDHTTF2F10
SCHEMBL14473217 0.79 CYP2C9 (1.00) MAPTHPGDHTTF2F10
SCHEMBL5585181 0.79 CYP2C9 (1.00) MAPTHPGDHTTF2F10
SCHEMBL5585182 0.79 CYP2C9 (1.00) MAPTHPGDHTTF2F10
SCHEMBL7442199 0.79 F2 (1.00) F2F10PLAUHPN
SCHEMBL7426525 0.79 F2 (1.00) F2F10PLAUHPN
SCHEMBL7443016 0.79 F2 (1.00) F2F10PLAUHPN
2,6-Dibenzylidenecyclohexanone SCHEMBL12948726 0.79 CYP1A2 (1.00) MAPTHPGDHTTF3HSD11B1

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-115466400-A Metal organic coordination compound of mixed ligand and flow chemistry preparation method and application thereof 嘉兴学院 2022-12-13 CN disclosed