SCHEMBL28612853

SCHEMBL28612853

C=CC1OCc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.37
HTR1A P08908 4/20 0.36
SLC6A2 P23975 7/20 0.34
CYP2D6 P10635 6/20 0.34
SLC6A4 P31645 5/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2A P28223 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRM1 P35372 1/20 0.33
SLC6A3 Q01959 2/20 0.33

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
SCHEMBL9113377 0.82 SLC6A2 (0.33) SLC6A2CYP2D6SLC6A4LMNAHTR2A
SCHEMBL20906565 0.81 ALDH1A1 (0.48) PRCPHTR1AALDH1A1LMNAKMT2A
SCHEMBL20906600 0.81 ALDH1A1 (0.48) PRCPHTR1AALDH1A1LMNAKMT2A
SCHEMBL20906609 0.81 ALDH1A1 (0.48) PRCPHTR1AALDH1A1LMNAKMT2A
SCHEMBL31208338 0.81 ALDH1A1 (0.48) PRCPHTR1AALDH1A1LMNAKMT2A
SCHEMBL2653892 0.80 SLC6A2 (0.34) SLC6A2CYP2D6SLC6A4LMNAHTR2A
SCHEMBL27754818 0.78 SLC6A2 (0.33) SLC6A2CYP2D6SLC6A4LMNAHTR2A
SCHEMBL27415175 0.76 HTR2A (0.39) SLC6A2CYP2D6SLC6A4LMNAHTR2A
SCHEMBL5083201 0.72 SLC6A2 (0.37) SLC6A2CYP2D6SLC6A4LMNAHTR2A
SCHEMBL9239431 0.72 NPC1 (0.40) PRCPHTR1AALDH1A1LMNAKMT2A

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
CN-113122061-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 CN claimed
CN-113122061-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 CN disclosed