SCHEMBL7540243

SCHEMBL7540243

C=C(C)C(=O)OC1CCCCC1.C=Cc1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
NPC1 O15118 2/20 0.35
CYP2C19 P33261 2/20 0.35
RAB9A P51151 2/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP19A1 P11511 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
MAPT P10636 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
Styrene SCHEMBL3780614 0.88 FABP7 (0.41) MEN1KMT2ATDP1CYP19A1MAPT
Styrene SCHEMBL209795 0.85 TDP1 (0.39) MEN1KMT2ATDP1MAPTALDH1A1
SCHEMBL28163616 0.84 TDP1 (0.38) TRPM8MEN1KMT2ANPC1RAB9A
SCHEMBL27676055 0.83 SCN1A (0.43) TRPM8MEN1KMT2ASCN1ASCN2A
Styrene SCHEMBL28783262 0.80 MEN1 (0.39) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL28113038 0.79 EPHX1 (0.41) CYP2C19SMN1; SMN2CA1CA2CYP19A1
SCHEMBL18822970 0.79 EPHX1 (0.46) CYP2C19SMN1; SMN2CA1CA2CYP19A1
SCHEMBL16297135 0.79 EPHX1 (0.46) CYP2C19SMN1; SMN2CA1CA2CYP19A1
SCHEMBL22480 0.79 EPHX1 (0.46) CYP2C19SMN1; SMN2CA1CA2CYP19A1
SCHEMBL28878275 0.79 EPHX1 (0.46) CYP2C19SMN1; SMN2CA1CA2CYP19A1

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
WO-2002041987-A2 POLYMERIC MICROSPHERES TUFTS UNIVERSITY (US) 2002-05-30 WO disclosed