SCHEMBL27363692

SCHEMBL27363692

c1ccc(COCCOCCOc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
KCNA3 P22001 1/20 0.54
NAAA Q02083 1/20 0.51
FOXM1 Q08050 1/20 0.51
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTR1A P08908 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
DRD4 P21917 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTGS2 P35354 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL903883 0.98 TSHR (0.58) TSHRKCNA3NAAAFOXM1RAB9A
SCHEMBL16594362 0.96 TSHR (0.56) TSHRNAAAFOXM1RAB9ASMN1; SMN2
SCHEMBL9478520 0.94 KCNA3 (0.56) TSHRKCNA3HTR1AADRA1DADRA1A
SCHEMBL29066838 0.91 ALDH1A1 (0.60) TSHRKCNA3NAAAFOXM1RAB9A
SCHEMBL16594348 0.90 MAOB (0.56) TSHRNAAAADRA1DADRA1AADRA1B
SCHEMBL5677947 0.90 LMNA (0.62) TSHRFOXM1RAB9ASMN1; SMN2NPC1
SCHEMBL6852321 0.88 LMNA (0.64) FOXM1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL12703746 0.87 KDM4E (0.55) TSHRNAAAFOXM1RAB9ASMN1; SMN2
SCHEMBL1594868 0.87 ALDH1A1 (0.55) TSHRFOXM1RAB9ASMN1; SMN2NPC1
SCHEMBL2481801 0.87 KCNA3 (0.70) KCNA3DRD4HDAC6TAAR1ALDH1A1

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-116693361-A Composition for forming organic film, pattern forming method, and compound 信越化学工业株式会社 2023-09-05 CN disclosed
CN-116694114-A Composition for forming metal oxide film, pattern forming method, and metal oxide film forming method 信越化学工业株式会社 2023-09-05 CN disclosed
CN-1070524-C Non-aqueous ink for ball-point pen MITSUBISHI PENCIL CO (JP) 2001-09-05 CN disclosed