SCHEMBL29493115

SCHEMBL29493115

Oc1ccccc1Cc1cccc(C2CCCCC2)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 1/20 0.50
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ PTPN5 P54829 3/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ NAAA Q02083 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HDAC4 P56524 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ NUDT1 P36639 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ TAS1R2 Q8TE23 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.35
▸ POLB P06746 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
SCHEMBL27584479 1.00 HSPA5 (0.50) HSPA5PTGDR2PTPN5PTPN2NAAA
SCHEMBL4058553 0.92 PTGDR2 (0.41) HSPA5PTGDR2PTPN5PTPN2NAAA
SCHEMBL11598412 0.90 PTPN5 (0.39) HSPA5PTGDR2PTPN5PTPN2NAAA
SCHEMBL23174787 0.86 NUDT1 (0.39) PTGDR2PTPN5PTPN2NAAANUDT1
SCHEMBL9638052 0.84 HSPA5 (0.46) HSPA5PTGDR2NAAAKEAP1MEN1
SCHEMBL27221198 0.83 AMY1A (0.51) PTGDR2PTPN5PTPN2NAAAKMT2A
SCHEMBL23174721 0.80 NUDT1 (0.38) PTGDR2PTPN5PTPN2NAAAHDAC4
SCHEMBL27728789 0.80 PTGDR2 (0.40) PTGDR2PTPN5PTPN2NAAAMEN1
SCHEMBL27584478 0.80 KEAP1 (0.45) PTPN5PTPN2NAAAKEAP1NUDT1
SCHEMBL1053897 0.79 HDAC4 (0.46) PTGDR2PTPN5PTPN2MEN1KMT2A

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
WO-2022065041-A1 RESIN CONTAINING PHENOLIC HYDROXYL GROUP, RESIN COMPOSITION FOR ALKALI-DEVELOPABLE RESISTS, RESIST CURABLE RESIN COMPOSITION, AND METHOD FOR PRODUCING RESIN CONTAINING PHENOLIC HYDROXYL GROUP DIC株式会社 2022-03-31 — — WO disclosed
Send feedback