SCHEMBL9205264

SCHEMBL9205264

CCCCCCC(CC)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.41
SIGMAR1 Q99720 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
EPHX1 P07099 2/20 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
SCHEMBL9204480 1.00 SHBG (0.41) SHBGSIGMAR1TSHRLMNACYP1A2
SCHEMBL27695479 0.98 SHBG (0.45) SHBGSIGMAR1TSHRCYP1A2EPHX1
SCHEMBL28275048 0.98 SHBG (0.45) SHBGSIGMAR1TSHRCYP1A2EPHX1
SCHEMBL2995250 0.98 SHBG (0.45) SHBGSIGMAR1TSHRCYP1A2EPHX1
SCHEMBL11677036 0.98 SHBG (0.45) SHBGSIGMAR1TSHRCYP1A2EPHX1
SCHEMBL2997497 0.98 SHBG (0.43) SHBGSIGMAR1TSHRCYP1A2EPHX1
SCHEMBL5496647 0.96 SHBG (0.46) SHBGSIGMAR1TSHRCYP1A2EPHX1
SCHEMBL16211186 0.91 LMNA (0.38) TSHRLMNA
SCHEMBL9207753 0.91 SHBG (0.44) SHBGSIGMAR1TSHRCYP1A2
SCHEMBL19298161 0.91 SHBG (0.39) SHBGSIGMAR1TSHRLMNACYP1A2

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