SCHEMBL18556754

SCHEMBL18556754

CCCCCCC(/C=C(\C#N)C(=O)OC)CCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.41
EPHX1 P07099 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
ZDHHC20 Q5W0Z9 2/20 0.36
ZDHHC2 Q9UIJ5 2/20 0.36
LMNA P02545 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GPR84 Q9NQS5 3/20 0.35
FDPS P14324 3/20 0.35
FFAR1 O14842 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LCK P06239 1/20 0.34

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
SCHEMBL27647414 0.76 EP300 (0.44) EPHX1SMN1; SMN2ZDHHC20ZDHHC2LMNA
SCHEMBL3208116 0.76 POLB (0.41) SMN1; SMN2POLBCYP3A4KDM4EHPGD
SCHEMBL19573442 0.76 EP300 (0.44) EPHX1SMN1; SMN2ZDHHC20ZDHHC2LMNA
SCHEMBL15913628 0.76 ZDHHC7 (0.43) ZDHHC7EPHX1SMN1; SMN2ZDHHC20ZDHHC2
SCHEMBL540777 0.75 TSHR (0.39) SMN1; SMN2ZDHHC20ZDHHC2MAPTPOLB
SCHEMBL3248973 0.74 EP300 (0.42) EPHX1SMN1; SMN2ZDHHC20ZDHHC2LMNA
SCHEMBL3248980 0.74 EP300 (0.42) EPHX1SMN1; SMN2ZDHHC20ZDHHC2LMNA
SCHEMBL23252449 0.74 ADORA2A (0.40) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL20205749 0.74 CYP2C9 (0.48) ZDHHC7SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL19830184 0.73 LMNA (0.39) SMN1; SMN2ZDHHC20ZDHHC2LMNAMEN1

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
US-9580392-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2017-02-28 US disclosed