SCHEMBL9205033

SCHEMBL9205033

[CH2]C(CCCCCCCCCCCC)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.37
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 3/20 0.35
EPHX2 P34913 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
SCHEMBL1525515 1.00 SHBG (0.37) SHBGSIGMAR1TSHRLMNACYP1A2
SCHEMBL6719652 1.00 SHBG (0.37) SHBGSIGMAR1TSHRLMNACYP1A2
SCHEMBL9206222 1.00 SHBG (0.37) SHBGSIGMAR1TSHRLMNACYP1A2
SCHEMBL9204414 1.00 SHBG (0.37) SHBGSIGMAR1TSHRLMNACYP1A2
SCHEMBL9209093 0.98 SHBG (0.40) SHBGSIGMAR1TSHRCYP1A2EPHX1
SCHEMBL1524836 0.98 SHBG (0.40) SHBGSIGMAR1TSHRCYP1A2EPHX1
SCHEMBL10630372 0.96 EPHX1 (0.36) TSHRLMNAEPHX1
SCHEMBL28319985 0.96 SHBG (0.41) SHBGSIGMAR1TSHRCYP1A2EPHX1
SCHEMBL28920773 0.91 LMNA (0.38) TSHRLMNA
SCHEMBL1524748 0.91 SHBG (0.39) SHBGSIGMAR1CYP1A2

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