SCHEMBL9853916

SCHEMBL9853916

CCCCc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.54
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
THRB P10828 3/20 0.49
THRA P10827 1/20 0.49
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.48
ACR P10323 1/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47

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
SCHEMBL11696699 1.00 MGLL (0.54) MGLLTSHRHSD17B10RAB9AMAPT
SCHEMBL3088004 1.00 MGLL (0.54) MGLLTSHRHSD17B10RAB9AMAPT
SCHEMBL11733871 0.96 TSHR (0.58) MGLLTSHRHSD17B10RAB9AMAPT
SCHEMBL13367303 0.96 TSHR (0.58) MGLLTSHRHSD17B10RAB9AMAPT
SCHEMBL8375386 0.96 TSHR (0.57) MGLLTSHRHSD17B10RAB9AMAPT
SCHEMBL9407102 0.96 TSHR (0.57) MGLLTSHRHSD17B10RAB9AMAPT
SCHEMBL9853910 0.96 TSHR (0.57) MGLLTSHRHSD17B10RAB9AMAPT
SCHEMBL4652053 0.96 TSHR (0.57) MGLLTSHRHSD17B10RAB9AMAPT
SCHEMBL11737192 0.95 TSHR (0.59) MGLLTSHRHSD17B10RAB9AMAPT
SCHEMBL8021326 0.95 TSHR (0.59) MGLLTSHRHSD17B10RAB9AMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0459306-A2 Liquid crystal wave front corrector Finkenzeller, Hans-Ulrich, Dr. (DE) 1991-12-04 EP disclosed