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SCHEMBL31347993

SCHEMBL31347993

C=C/C(C)=C/C[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@]2(C)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 1.00
▸ MAPT P10636 1/20 1.00
▸ PTPN1 P18031 4/20 0.57
▸ PNLIP P16233 3/20 0.54
▸ PTPN2 P17706 2/20 0.54
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ LMNA P02545 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MMP2 P08253 1/20 0.42

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
SCHEMBL2406902 1.00 POLB (1.00) POLBMAPTPTPN1PNLIPPTPN2
SCHEMBL14769472 1.00 POLB (1.00) POLBMAPTPTPN1PNLIPPTPN2
SCHEMBL16622804 1.00 POLB (1.00) POLBMAPTPTPN1PNLIPPTPN2
SCHEMBL31571682 1.00 POLB (1.00) POLBMAPTPTPN1PNLIPPTPN2
SCHEMBL28790287 1.00 POLB (1.00) POLBMAPTPTPN1PNLIPPTPN2
SCHEMBL16622816 0.90 POLB (0.81) POLBMAPTPTPN1PNLIPPTPN2
SCHEMBL16622813 0.85 POLB (0.74) POLBMAPTPTPN1PNLIPPTPN2
SCHEMBL30020054 0.85 POLB (0.73) POLBMAPTPTPN1PNLIPPTPN2
SCHEMBL29416449 0.85 POLB (0.73) POLBMAPTPTPN1PNLIPPTPN2
SCHEMBL29389764 0.84 POLB (0.72) POLBMAPTPTPN1PNLIPPTPN2

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-114761637-B Non-rewet O/W (oil-in-water) emulsifying system for hydrophobic compounds 有机点击股份公司 2025-02-11 — — CN claimed