SCHEMBL2373413

SCHEMBL2373413

C=CCC(O)(F)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TSHR P16473 2/20 0.53
HTT P42858 1/20 0.50
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.38
PTPN1 P18031 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 2/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ATM Q13315 1/20 0.34
ACSS2 Q9NR19 1/20 0.33

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
SCHEMBL16521807 0.80 ALDH1A1 (0.50) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL29810145 0.80 ALDH1A1 (0.50) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL11829886 0.79 HTT (0.55) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL27972173 0.79 ALDH1A1 (0.41) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL1985443 0.78 ALDH1A1 (0.57) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL27498066 0.78 ALDH1A1 (0.57) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL21602929 0.78 TSHR (0.52) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL616174 0.78 ALDH1A1 (0.57) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL16521797 0.77 ALDH1A1 (0.47) ALDH1A1TSHRHTTMAPTKMT2A
SCHEMBL15242554 0.75 ALDH1A1 (0.53) ALDH1A1TSHRHTTMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4602074-A SILICON CONTAINING ACRYLIC MONOMER NIPPON CONTACT LENS MANUFACTURING LTD. (JP) 1986-07-22 US claimed
US-8288496-B2 Contact lens and its manufacturing method NIPPON CONTACT LENS INC. (JP) 2012-10-16 US disclosed
US-20110237701-A1 CONTACT LENS AND ITS MANUFACTURING METHOD NIPPON CONTACT LENS INC. (JP) 2011-09-29 US disclosed
EP-2369370-A2 Contact lens and its manufacturing method Nippon Contact Lens Inc. (JP) 2011-09-28 EP disclosed
US-4602074-A SILICON CONTAINING ACRYLIC MONOMER NIPPON CONTACT LENS MANUFACTURING LTD. (JP) 1986-07-22 US disclosed