SCHEMBL11282145

SCHEMBL11282145

C=CCC(C)CC(O)CCCCCCCCCCC=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 5/20 0.49
MAPT P10636 4/20 0.49
CYP3A4 P08684 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
TSHR P16473 1/20 0.34
FAAH O00519 4/20 0.33
TRPV1 Q8NER1 1/20 0.32
LMNA P02545 2/20 0.31
RECQL P46063 1/20 0.31
ABCC4 O15439 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8082737 0.83 USP2 (0.43) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
Ethylene SCHEMBL11282120 0.80 USP2 (0.46) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL11432463 0.79 USP2 (0.45) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL10085844 0.74 TSHR (0.46) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL30132350 0.74 TSHR (0.46) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL7292904 0.73 TSHR (0.43) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL15341518 0.73 TSHR (0.34) TSHR
SCHEMBL19816719 0.73 FFAR1 (0.41) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL19816447 0.73 FFAR1 (0.41) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL10081320 0.72 HIF1A (0.47) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2

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-0012390-B1 PROCESS FOR THE PREPARATION OF MUSCONE; THE INTERMEDIATE PYRANIC COMPOUNDS FIRMENICH SA (CH) 1982-11-24 EP disclosed
US-4341897-A Pyranic derivatives for use in the preparation of muscone FIRMENICH SA (CH) 1982-07-27 US disclosed
US-4277625-A Process for the preparation of muscone FIRMENICH SA (CH) 1981-07-07 US disclosed