Sugi Predict

Sugi Predict / Compounds / SCHEMBL9213729

SCHEMBL9213729

SCHEMBL9213729

CCCCCNC(C)(C)CCCC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.55
▸ SIGMAR1 Q99720 3/20 0.47
▸ NAAA Q02083 1/20 0.38
▸ EPHX1 P07099 9/20 0.37
▸ TLR7 Q9NYK1 1/20 0.36
▸ EPHX2 P34913 2/20 0.36
▸ METAP2 P50579 1/20 0.36
▸ BCHE P06276 1/20 0.35
▸ GNAI3 P08754 1/20 0.35
▸ GNAO1 P09471 1/20 0.35
▸ GNAI1 P63096 1/20 0.35

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
SCHEMBL9210867 0.79 CYP1A2 (0.44) CYP1A2SIGMAR1NAAAEPHX1EPHX2
SCHEMBL29725093 0.77 CYP1A2 (0.50) CYP1A2SIGMAR1NAAAEPHX1TLR7
SCHEMBL8755422 0.76 EPHX1 (0.44) EPHX1
SCHEMBL9210932 0.76 EPHX1 (0.44) EPHX1
SCHEMBL8755205 0.76 EPHX1 (0.44) EPHX1
SCHEMBL9207849 0.76 EPHX1 (0.44) EPHX1
SCHEMBL11785442 0.76 EPHX1 (0.44) EPHX1
SCHEMBL11416088 0.76 EPHX1 (0.44) EPHX1
SCHEMBL21236821 0.76 EPHX1 (0.44) EPHX1
SCHEMBL22623546 0.76 EPHX1 (0.44) EPHX1

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