SCHEMBL30133507

SCHEMBL30133507

OP(O)OP(O)Oc1cccc(C2CCCCC2)c1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.40
ADRA2A P08913 2/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
ABCB1 P08183 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL1726399 0.88 PTGDR2 (0.43) PTGDR2ADRA2AUSP2CYP1A2HTR1A
SCHEMBL3269607 0.82 PTGDR2 (0.42) PTGDR2ADRA2AUSP2CYP1A2HTR1A
SCHEMBL4901024 0.77 PTGDR2 (0.54) PTGDR2ADRA2AUSP2CYP1A2HTR1A
SCHEMBL28728708 0.77 PTGDR2 (0.43) PTGDR2ADRA2AUSP2CYP1A2HTR1A
SCHEMBL3679820 0.77 PTGDR2 (0.46) PTGDR2ADRA2AUSP2CYP1A2HTR1A
SCHEMBL28204910 0.73 ABCB1 (0.60) PTGDR2ABCB1MEN1KMT2A
SCHEMBL6656290 0.73 PTGDR2 (0.54) PTGDR2ADRA2AUSP2CYP1A2HTR1A
SCHEMBL247375 0.73 PTGDR2 (0.50) PTGDR2ABCB1MEN1KMT2APTGDR
SCHEMBL239469 0.72 ABCB1 (0.43) PTGDR2HTR1AABCB1BCHEACHE
SCHEMBL247376 0.72 PTGDR2 (0.52) PTGDR2ABCB1MEN1KMT2APTGDR

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-115605542-A Polycarbonate resin composition and molded article thereof 帝人株式会社(JP) 2023-01-13 CN disclosed