SCHEMBL9210833

SCHEMBL9210833

CCCCCC(CCCC)NCCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.46
EPHX1 P07099 1/20 0.40
OPRM1 P35372 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.36
SIGMAR1 Q99720 5/20 0.35
DPP7 Q9UHL4 1/20 0.35
PLA2G2C Q5R387 2/20 0.35
CYP3A4 P08684 1/20 0.34
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL21890305 0.98 DNM1 (0.50) DNM1EPHX1OPRM1ALDH1A1TSHR
SCHEMBL16649021 0.97 DNM1 (0.42) DNM1EPHX1OPRM1ALDH1A1TSHR
SCHEMBL18898174 0.95 DNM1 (0.46) DNM1EPHX1OPRM1ALDH1A1TSHR
SCHEMBL2334045 0.95 DNM1 (0.46) DNM1EPHX1OPRM1ALDH1A1TSHR
SCHEMBL19890567 0.95 DNM1 (0.46) DNM1EPHX1OPRM1ALDH1A1TSHR
SCHEMBL5371278 0.95 DNM1 (0.43) DNM1EPHX1ALDH1A1TSHRLMNA
SCHEMBL28177815 0.91 DNM1 (0.42) DNM1EPHX1OPRM1ALDH1A1TSHR
SCHEMBL8533031 0.91 DNM1 (0.42) DNM1EPHX1OPRM1ALDH1A1TSHR
SCHEMBL20798577 0.90 DNM1 (0.40) DNM1EPHX1OPRM1ALDH1A1TSHR
SCHEMBL26220887 0.90 DNM1 (0.40) DNM1EPHX1ALDH1A1TSHRLMNA

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