SCHEMBL6301441

SCHEMBL6301441

C=CC(=O)OCCCO.O=C(O)C1C=CCCC1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.38
THRB P10828 1/20 0.36
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ESR1 P03372 1/20 0.32

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
SCHEMBL6272690 0.92 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL7199881 0.86 TSHR (0.41) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL9811787 0.83 TSHR (0.40) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL9811791 0.83 THRB (0.41) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL28218180 0.82 TSHR (0.37) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL13571377 0.81 USP2 (0.31) ALDH1A1
SCHEMBL6297537 0.78 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTHRB
Acrylic Acid SCHEMBL27819529 0.78 LMNA (0.36) ALDH1A1
SCHEMBL13571261 0.78 USP2 (0.30) ALDH1A1ESR1
SCHEMBL230605 0.75 ALDH1A1 (0.41) ALDH1A1CYP3A4THRBTP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855746-B2 Process for the production of molded particles for enzyme- or microbial cell-immobilization KANSAI PAINT CO., LTD. (JP) 2005-02-15 US claimed
US-20030100636-A1 Process for the production of molded particles for enzyme- or microbial cell-immobilization KANSAI PAINT CO., LTD. (JP) 2003-05-29 US claimed
US-6855746-B2 Process for the production of molded particles for enzyme- or microbial cell-immobilization KANSAI PAINT CO., LTD. (JP) 2005-02-15 US disclosed
US-20030100636-A1 Process for the production of molded particles for enzyme- or microbial cell-immobilization KANSAI PAINT CO., LTD. (JP) 2003-05-29 US disclosed