SCHEMBL9545026

SCHEMBL9545026

C=CC(CCC)OCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 3/20 0.34
NFKB1 P19838 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
BLM P54132 1/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL10897512 0.87 GPR84 (0.41) BLMMEN1KMT2APAM
SCHEMBL10810256 0.81 TSHR (0.40) SLC6A3HDAC1HDAC2CHRM1AKR1A1
Acrylic Acid SCHEMBL27998566 0.74 LMNA (0.40) SLC6A3HDAC1HDAC2CHRM1AKR1A1
SCHEMBL6130025 0.73 SLC6A3 (0.35) SLC6A3HDAC1HDAC2CHRM1AKR1A1
SCHEMBL3184155 0.73 PLA2G2C (0.35) SLC6A3HDAC1HDAC2CHRM1AKR1A1
SCHEMBL11190230 0.73 HDAC1 (0.42) SLC6A3HDAC1HDAC2CHRM1AKR1A1
SCHEMBL2850328 0.72 TSHR (0.36) SLC6A3HDAC1HDAC2CHRM1AKR1A1
SCHEMBL7758644 0.71 HDAC1 (0.41) SLC6A3HDAC1HDAC2CHRM1AKR1A1
SCHEMBL6962867 0.71
SCHEMBL10881602 0.71 TSHR (0.33) SLC6A3HDAC1HDAC2CHRM1AKR1A1

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
WO-2023277184-A1 STAR POLYMER ダイキン工業株式会社 2023-01-05 WO disclosed
WO-2021106684-A1 PHOTOSENSITIVE COMPOSITION, CURED PRODUCT, AND METHOD FOR PRODUCING CURED PRODUCT 東京応化工業株式会社 2021-06-03 WO disclosed
WO-1993019599-A1 HERBICIDES ZENECA LIMITED (GB) 1993-10-14 WO disclosed