SCHEMBL21883938

SCHEMBL21883938

C=C(C)C(=O)OCCNC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(O)NCCOC(=O)C(=C)C)cc3)cc2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.36
POLB P06746 3/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 3/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL17301277 0.91 MGLL (0.42) MGLLPOLBAPEX1HTTTDP1
SCHEMBL20693154 0.86 SMN1; SMN2 (0.36) MGLLPOLBAPEX1HTTTDP1
SCHEMBL17301263 0.78 MGLL (0.42) MGLLPOLBKDM4EMAPTMAPK1
SCHEMBL17301279 0.77 TDP1 (0.50) POLBAPEX1HTTTDP1KDM4E
SCHEMBL9108184 0.76 TDP1 (0.51) POLBAPEX1HTTTDP1KDM4E
SCHEMBL13932669 0.76 MAPT (0.43) POLBAPEX1HTTTDP1KDM4E
SCHEMBL10014319 0.76 MGLL (0.57) MGLLPOLBAPEX1HTTTDP1
SCHEMBL8930116 0.76 POLB (0.48) POLBAPEX1HTTTDP1KDM4E
SCHEMBL19978522 0.75 POLB (0.59) POLBAPEX1HTTTDP1KDM4E
SCHEMBL16885166 0.75 POLB (0.59) MGLLPOLBAPEX1HTTTDP1

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
US-11332671-B2 Liquid crystal composition, method for producing reflective layer, reflective layer, cured product, and optically anisotropic body FUJIFILM CORPORATION (JP) 2022-05-17 US disclosed
US-20200102500-A1 LIQUID CRYSTAL COMPOSITION, METHOD FOR PRODUCING REFLECTIVE LAYER, REFLECTIVE LAYER, CURED PRODUCT, AND OPTICALLY ANISOTROPIC BODY FUJIFILM CORPORATION (JP) 2020-04-02 US disclosed