SCHEMBL31192520

SCHEMBL31192520

O=C1OC(=O)c2c(CO)cccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TYMS P04818 4/20 0.42
PDCD1 Q15116 2/20 0.40
CD274 Q9NZQ7 2/20 0.40
PDK2 Q15119 1/20 0.40
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
AR P10275 1/20 0.36
MAOB P27338 2/20 0.34
MAOA P21397 2/20 0.33
MEN1 O00255 1/20 0.33
EPHX2 P34913 1/20 0.33
KMT2A Q03164 1/20 0.33
PRKDC P78527 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL31192516 1.00 ALOX15 (0.44) ALOX15TDP1TYMSPDCD1CD274
SCHEMBL31192517 1.00 ALOX15 (0.44) ALOX15TDP1TYMSPDCD1CD274
SCHEMBL3872705 0.83 ALOX15 (0.48) ALOX15TDP1TYMSMAOAMEN1
SCHEMBL1826217 0.82 ALOX15 (0.46) ALOX15TDP1TYMSPDK2MAOA
SCHEMBL28660571 0.80 ALOX15 (0.44) ALOX15TDP1TYMS
SCHEMBL28788523 0.80 ALOX15 (0.44) ALOX15TDP1TYMS
SCHEMBL11380319 0.80 TDP1 (0.44) ALOX15TDP1TYMS
SCHEMBL4063781 0.80 ALOX15 (0.44) ALOX15TDP1TYMS
SCHEMBL8982521 0.79 AKR1B1 (0.46) ALOX15TDP1TYMSMEN1KMT2A
SCHEMBL9643738 0.79 ALOX15 (0.36) ALOX15TDP1TYMSKMT2A

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-118717845-A Compound dendrobium candidum hypoglycemic composition and preparation method thereof 安徽斛圣康科技有限公司 2024-10-01 CN disclosed