SCHEMBL5694166

SCHEMBL5694166

C=C(C)C(=O)OCCCCCCCCCCOC(=O)c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
ESR1 P03372 4/20 0.57
LMNA P02545 2/20 0.57
CYP2D6 P10635 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPK1 P28482 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
NR1H2 P55055 1/20 0.57
RNASEL Q05823 1/20 0.57
TDP1 Q9NUW8 3/20 0.56
POLB P06746 1/20 0.56
APEX1 P27695 1/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 2/20 0.53
CHRM1 P11229 1/20 0.53
SLC6A2 P23975 1/20 0.53
KDR P35968 1/20 0.53
KDM4E B2RXH2 1/20 0.49
ESR2 Q92731 2/20 0.47

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
SCHEMBL18350090 0.94 TSHR (0.64) TSHRESR1LMNACYP2D6SMN1; SMN2
SCHEMBL13577806 0.93 ESR1 (0.57) TSHRESR1LMNACYP2D6SMN1; SMN2
SCHEMBL4640492 0.91 TSHR (0.64) TSHRESR1LMNACYP2D6SMN1; SMN2
SCHEMBL19789522 0.89 TDP1 (0.56) TSHRESR1LMNACYP2D6SMN1; SMN2
SCHEMBL29316026 0.89 TDP1 (0.59) TSHRLMNASMN1; SMN2TDP1POLB
SCHEMBL29316023 0.89 TDP1 (0.59) TSHRLMNASMN1; SMN2TDP1POLB
SCHEMBL4541500 0.88 ESR1 (0.62) TSHRESR1LMNACYP2D6SMN1; SMN2
SCHEMBL29316022 0.87 TDP1 (0.58) TSHRESR1LMNACYP2D6SMN1; SMN2
SCHEMBL16351937 0.87 TDP1 (0.50) TSHRESR1LMNACYP2D6SMN1; SMN2
SCHEMBL16351931 0.87 TDP1 (0.50) TSHRESR1LMNACYP2D6SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1342770-B1 Polymerizable liquid crystal compound, liquid crystal polymer and applications thereof FUJI PHOTO FILM CO LTD (JP) 2006-05-31 EP disclosed
EP-1342770-A1 Polymerizable liquid crystal compound, liquid crystal polymer and applications thereof FUJI PHOTO FILM CO., LTD. (JP) 2003-09-10 EP disclosed