SCHEMBL7631982

SCHEMBL7631982

C=C(C)C/C(C(=O)O)=C(\CC(=C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.34
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
PGGT1B P53609 1/20 0.33
FFAR3 O14843 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
TGFBR1 P36897 1/20 0.32
ALOX15 P16050 1/20 0.32
TET2 Q6N021 1/20 0.31
LDHA P00338 1/20 0.30
SRR Q9GZT4 1/20 0.30

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
SCHEMBL7631994 1.00 GRIK1 (0.34) GRIK1FNTAFNTBHSD17B10TDP1
SCHEMBL8397364 1.00 GRIK1 (0.34) GRIK1FNTAFNTBHSD17B10TDP1
SCHEMBL14874370 0.87 FNTA (0.43) GRIK1FNTAFNTBHSD17B10THRB
SCHEMBL28660934 0.85 ALDH1A1 (0.33) GRIK1TDP1ALDH1A1TGFBR1
SCHEMBL9860337 0.79 GRIK1 (0.31) GRIK1
SCHEMBL9860331 0.79 GRIK1 (0.31) GRIK1
SCHEMBL19359070 0.77
SCHEMBL472577 0.77
SCHEMBL6515047 0.75 KDM4E (0.43) GRIK1FNTAFNTBTDP1ALDH1A1
SCHEMBL6515055 0.75 KDM4E (0.43) GRIK1FNTAFNTBTDP1ALDH1A1

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
EP-3131396-B1 PESTICIDAL TAPE FOR CONTROLLING CRAWLING PESTS BASF SE (DE) 2021-09-15 EP claimed
EP-0783710-B1 POLYESTER RESIN-BASED HIGH INDEX OPHTHALMIC LENSES HAVING IMPROVED OPTICAL UNIFORMITY AND/OR TINTABILITY SIGNET ARMORLITE INC (US) 2002-05-29 EP claimed
EP-0306756-B1 OPTICAL ELEMENTS Geyer, Otto-Christian, Dr. (DE) 1993-02-03 EP disclosed
EP-0306756-A2 Optical elements Geyer, Otto-Christian, Dr. (DE) 1989-03-15 EP disclosed