SCHEMBL30901541

SCHEMBL30901541

CC(C)COC(=O)C1C2C=CC(CC2)C1C(=O)OCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 4/20 0.41
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HTT P42858 3/20 0.36
LMNA P02545 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL31276062 0.93 RAB9A (0.39) POLBAPEX1TDP1TSHRRAB9A
SCHEMBL1196057 0.89 ALDH1A1 (0.49) POLBTSHRRAB9ANPC1ALDH1A1
SCHEMBL13517735 0.83 ALDH1A1 (0.59) POLBAPEX1TDP1TSHRRAB9A
SCHEMBL14874426 0.80 TSHR (0.42) APEX1TDP1TSHRRAB9ANPC1
SCHEMBL14874427 0.80 TSHR (0.42) APEX1TDP1TSHRRAB9ANPC1
SCHEMBL30901531 0.79 PPM1B (0.49) POLBAPEX1TDP1ALDH1A1SMN1; SMN2
SCHEMBL1196061 0.79 TDP1 (0.43) POLBTDP1TSHRRAB9ANPC1
SCHEMBL1195465 0.77 TSHR (0.39) APEX1TDP1TSHRRAB9ANPC1
SCHEMBL1196013 0.77 ALDH1A1 (0.48) TSHRRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6682537 0.76 TSHR (0.42) POLBTSHRRAB9ANPC1ALDH1A1

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-118108878-A Organic polymer carrier and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN claimed
CN-118108888-A Organic polymer carrier, Z-N catalyst, and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN claimed
CN-118108888-A Organic polymer carrier, Z-N catalyst, and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN disclosed