SCHEMBL9211399

SCHEMBL9211399

C=CCCCCCCC(CC)NCCCCC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.38
PLA2G2C Q5R387 1/20 0.37
EPHX1 P07099 2/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
ADH1B P00325 2/20 0.33
ADH1C P00326 2/20 0.33
ADH1A P07327 2/20 0.33
ADH4 P08319 2/20 0.33
ADH7 P40394 2/20 0.33
PPARA Q07869 2/20 0.33
LMNA P02545 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
SCHEMBL25340146 0.93 TSHR (0.57) TSHRALDH1A1KDM4EPLA2G2CEPHX1
SCHEMBL9206049 0.90 TSHR (0.47) TSHRALDH1A1KDM4EPLA2G2CLMNA
SCHEMBL9541689 0.86 EPHX1 (0.48) TSHRALDH1A1KDM4EEPHX1ADH1B
SCHEMBL27800763 0.86 EPHX1 (0.48) TSHRALDH1A1KDM4EEPHX1ADH1B
SCHEMBL9208917 0.86 EPHX1 (0.48) TSHRALDH1A1KDM4EEPHX1ADH1B
SCHEMBL24353239 0.86 EPHX1 (0.48) TSHRALDH1A1KDM4EEPHX1ADH1B
SCHEMBL9206251 0.86 EPHX1 (0.48) TSHRALDH1A1KDM4EEPHX1ADH1B
SCHEMBL11699658 0.86 EPHX1 (0.48) TSHRALDH1A1KDM4EEPHX1ADH1B
SCHEMBL9204346 0.86 EPHX1 (0.48) TSHRALDH1A1KDM4EEPHX1ADH1B
SCHEMBL14625028 0.86 EPHX1 (0.48) TSHRALDH1A1KDM4EEPHX1ADH1B

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
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed