SCHEMBL28054515

SCHEMBL28054515

CCCC(C[O])Oc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.46
SLC6A2 P23975 7/20 0.46
HTR1B P28222 3/20 0.43
HTR1D P28221 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 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
SCHEMBL5715049 0.90 SLC6A4 (0.50) SLC6A4SLC6A2HTR1BHTR1DKDM4E
SCHEMBL5473673 0.84 SLC6A4 (0.46) SLC6A4SLC6A2HTR1BHTR1DKDM4E
SCHEMBL5484311 0.84 SLC6A4 (0.46) SLC6A4SLC6A2HTR1BHTR1DKDM4E
SCHEMBL14542614 0.83 SLC6A4 (0.45) SLC6A4SLC6A2HTR1BHTR1DKDM4E
SCHEMBL9477676 0.81 MCHR1 (0.51) SLC6A4SLC6A2HTR1BHTR1DKDM4E
SCHEMBL5475481 0.81 SLC6A4 (0.63) SLC6A4SLC6A2HTR1BHTR1DCYP1A2
SCHEMBL5475484 0.81 SLC6A4 (0.63) SLC6A4SLC6A2HTR1BHTR1DCYP1A2
SCHEMBL5475476 0.81 SLC6A4 (0.63) SLC6A4SLC6A2HTR1BHTR1DCYP1A2
SCHEMBL28053039 0.80 SLC6A4 (0.46) SLC6A4SLC6A2CYP1A2CYP2C19KMT2A
Hydrochloric Acid SCHEMBL5476214 0.80 SLC6A4 (0.61) SLC6A4SLC6A2HTR1BHTR1DCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110494499-A Gel with inierpeneirating network structure SUMITOMO CHEMICAL CO 2019-11-22 CN disclosed
CN-110461948-A The gel of condensation product comprising organo-silicon compound SUMITOMO CHEMICAL CO 2019-11-15 CN disclosed
CN-102656172-B 8-oxodihydropurine derivatives DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2016-03-23 CN disclosed