SCHEMBL29015274

SCHEMBL29015274

C=Cc1ccc(OC(C)CC(CC)CCCC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
ALDH1A1 P00352 5/20 0.33
CYP3A4 P08684 2/20 0.33
LMNA P02545 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
CA2 P00918 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
AHR P35869 1/20 0.32
ALDH1A3 P47895 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL6287585 0.85 GPR88 (0.41) TDP1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL29015276 0.84 ALDH1A1 (0.36) TDP1TSHRALDH1A1CYP3A4LMNA
SCHEMBL30483319 0.84 ALDH1A1 (0.36) TDP1TSHRALDH1A1CYP3A4LMNA
SCHEMBL7920138 0.82 CHRNB2 (0.45) TDP1TSHRCHRNB2CHRNB4CHRNA3
SCHEMBL7673566 0.81 GPR88 (0.39) TDP1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7673562 0.81 GPR88 (0.39) TDP1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7539355 0.81 TDP1 (0.44) TDP1TSHRCHRNB2CHRNB4CHRNA3
SCHEMBL3032255 0.79 TAS1R3 (0.43) TSHRCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL28207730 0.78 TDP1 (0.48) TDP1TSHRCHRNB2CHRNB4CHRNA3
SCHEMBL7664011 0.76 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111324013-B Chemically amplified positive photosensitive resin composition and application thereof 奇美实业股份有限公司 2023-12-01 CN disclosed
CN-111381438-B Chemically amplified positive photosensitive resin composition and application thereof 奇美实业股份有限公司 2023-06-20 CN disclosed