SCHEMBL7092985

SCHEMBL7092985

CCCCC(CC)COC(=O)C(C=CC#N)=CC=CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 2/20 0.47
CYP3A4 P08684 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
ATM Q13315 2/20 0.43
CA2 P00918 1/20 0.41
HCAR2 Q8TDS4 5/20 0.40
RECQL P46063 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
PTPN1 P18031 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
Acrylic Acid SCHEMBL19409891 0.96 TSHR (0.52) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL6707462 0.91 TSHR (0.53) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL7720506 0.84 ALDH1A1 (0.53) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL2499451 0.83 HCAR2 (0.53) TSHRALDH1A1ATMHCAR2ACHE
SCHEMBL35834 0.81 TSHR (0.65) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL11654388 0.80 TDP1 (0.54) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL8002027 0.80 HCAR2 (0.47) TSHRALDH1A1LMNATDP1HCAR2
SCHEMBL242750 0.78 TSHR (0.69) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL972676 0.78 TSHR (0.69) TSHRALDH1A1LMNAMAPK1CYP3A4
SCHEMBL790118 0.78 TSHR (0.69) TSHRALDH1A1LMNAMAPK1CYP3A4

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-0704921-B1 Nonaqueous secondary battery UBE INDUSTRIES (JP) 2003-07-16 EP disclosed
US-5683834-A SHEET ELECTRODES WITH COLLECTORS COATED AND LITHIUM SALT ELECTROLYTES FUJI PHOTO FILM CO., LTD. (JP) 1997-11-04 US disclosed
EP-0704921-A1 Nonaqueous secondary battery FUJI PHOTO FILM CO., LTD. (JP) 1996-04-03 EP disclosed
US-4056497-A ACRYLIC ESTER COPOLYMERS CAPABLE OF BEING CROSS-LINKED HOECHST AKTIENGESELLSCHAFT (DT) 1977-11-01 US disclosed