SCHEMBL7244255

SCHEMBL7244255

CC(=O)C12CCCCC1C1CCCCC1(C(C)=O)CC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD1 P21728 1/20 0.33
HRH2 P25021 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SCN1A P35498 1/20 0.33

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
SCHEMBL7248360 0.89 MAPT (0.42) MAPTTSHRMEN1MAPK1KMT2A
SCHEMBL22417651 0.81 MAPT (0.32) MAPT
SCHEMBL7251594 0.79
SCHEMBL4610995 0.79 CYP3A4 (0.44) MAPTCYP3A4TSHRABCB11LMNA
SCHEMBL4610996 0.79 CYP3A4 (0.44) MAPTCYP3A4TSHRABCB11LMNA
SCHEMBL21253998 0.77 CYP3A4 (0.46) MAPTCYP3A4TSHRABCB11LMNA
SCHEMBL7251246 0.77 CYP3A4 (0.42) CYP3A4TSHRABCB11LMNACYP1A2
SCHEMBL19035547 0.76 CYP3A4 (0.38) CYP3A4TSHRABCB11LMNACYP1A2
SCHEMBL15116547 0.76 CYP3A4 (0.38) CYP3A4TSHRABCB11LMNACYP1A2
SCHEMBL7251920 0.75 HSD11B1 (0.30) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576787-B1 Hydroxymethyl-group-containing alicyclic compound and process for producing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-10 US disclosed
EP-1070699-A1 ALICYCLIC COMPOUNDS CONTAINING HYDROXYMETHYL GROUP, PROCESS FOR PRODUCING THE SAME, AND POLYMERIZABLE ALICYCLIC COMPOUND Daicel Chemical Industries, Ltd. (JP) 2001-01-24 EP disclosed