SCHEMBL26779020

SCHEMBL26779020

COC(=O)[C@@H]1[C@H]2CC/C=C\CC[C@@H]2[C@@H]1C(=O)OCCCCOC(=O)[C@H]1[C@H]2CC/C=C\CC[C@@H]2[C@H]1C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 1/20 0.33
▸ PPARG P37231 3/20 0.32
▸ GLA P06280 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ FKBP1A P62942 1/20 0.30
▸ PPM1B O75688 2/20 0.30
▸ PTPN1 P18031 2/20 0.30
▸ PPP1CC P36873 2/20 0.30

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
SCHEMBL26779366 0.94 RAB9A (0.41) RAB9ANPC1ALDH1A1MEN1CYP1A2
SCHEMBL25585151 0.87 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1PPARGHPGD
SCHEMBL25585110 0.87 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1PPARGHPGD
SCHEMBL25585195 0.87 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1PPARGHPGD
SCHEMBL26718282 0.84 RAB9A (0.40) RAB9ANPC1ALDH1A1MEN1CYP1A2
SCHEMBL25585235 0.84 RAB9A (0.40) RAB9ANPC1ALDH1A1MEN1CYP1A2
SCHEMBL25585168 0.81 RAB9A (0.50) RAB9ANPC1ALDH1A1MEN1CYP1A2
SCHEMBL26718299 0.80 RAB9A (0.39) RAB9ANPC1ALDH1A1MEN1CYP1A2
SCHEMBL26779009 0.76 RAB9A (0.42) RAB9ANPC1MAPT
SCHEMBL26718276 0.75 PPM1B (0.49) RAB9ANPC1ALDH1A1MEN1CYP1A2

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
US-20230365743-A1 FUSED RING MONOMERS PROVIDING FOR CHEMICALLY RECYCLABLE POLYMERS THE UNIVERSITY OF AKRON 2023-11-16 — — US disclosed
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