SCHEMBL5698377

SCHEMBL5698377

O=C(O)C(=Cc1ccccc1)CCO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
MAPT P10636 4/20 0.52
LMNA P02545 3/20 0.51
HTT P42858 3/20 0.51
KDM4E B2RXH2 2/20 0.51
NCOA1 Q15788 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NCOA3 Q9Y6Q9 2/20 0.51
TP53 P04637 2/20 0.51
NPC1 O15118 1/20 0.51
RECQL P46063 1/20 0.50
AKR1C3 P42330 1/20 0.48
THRB P10828 1/20 0.48
AKR1C1 Q04828 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
RAB9A P51151 1/20 0.47
MME P08473 2/20 0.44

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
SCHEMBL26914643 0.89 CYP3A4 (0.58) CYP3A4CYP2C9MAPTLMNAHTT
SCHEMBL17005582 0.85 CYP3A4 (0.54) CYP3A4CYP2C9MAPTLMNAHTT
SCHEMBL19127780 0.85 MAPT (0.57) CYP3A4CYP2C9MAPTLMNAHTT
SCHEMBL11003194 0.85 RECQL (0.66) CYP3A4CYP2C9MAPTLMNAHTT
SCHEMBL3793616 0.84 CYP3A4 (0.61) CYP3A4CYP2C9LMNATP53RECQL
SCHEMBL7101790 0.83 CYP3A4 (0.66) CYP3A4CYP2C9MAPTLMNAHTT
SCHEMBL261986 0.83 CYP3A4 (0.66) CYP3A4CYP2C9MAPTLMNAHTT
SCHEMBL5913037 0.83 CYP3A4 (0.66) CYP3A4CYP2C9MAPTLMNAHTT
SCHEMBL3256825 0.82 CYP3A4 (0.59) CYP3A4CYP2C9LMNAHTTRECQL
SCHEMBL8858244 0.82 CYP3A4 (0.59) CYP3A4CYP2C9LMNAHTTRECQL

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-1144542-B1 POLYMER CEMENT ADDITIVE, CEMENT COMPOSITION AND PROCESS THEREWITH CONOCOPHILLIPS CO (US) 2006-07-19 EP claimed