SCHEMBL9761455

SCHEMBL9761455

CCCc1ccc(-c2ccc(C(=O)Oc3ccc(C(C)OC)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
THRB P10828 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
ACACB O00763 2/20 0.50
ACACA Q13085 2/20 0.50
KMT2A Q03164 2/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
PRSS1 P07477 3/20 0.44
ACR P10323 2/20 0.44
TP53 P04637 1/20 0.43
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
GAA P10253 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40

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
SCHEMBL9761598 1.00 MAPT (0.52) MAPTTHRBSMN1; SMN2ACACBACACA
SCHEMBL9762243 1.00 MAPT (0.52) MAPTTHRBSMN1; SMN2ACACBACACA
SCHEMBL9761873 1.00 MAPT (0.52) MAPTTHRBSMN1; SMN2ACACBACACA
SCHEMBL9761646 0.96 MAPT (0.49) MAPTTHRBSMN1; SMN2ACACBACACA
SCHEMBL9762170 0.96 MAPT (0.49) MAPTTHRBSMN1; SMN2ACACBACACA
SCHEMBL9762384 0.93 MAPT (0.53) MAPTTHRBSMN1; SMN2ACACBACACA
SCHEMBL9761850 0.93 MAPT (0.53) MAPTTHRBSMN1; SMN2ACACBACACA
SCHEMBL9760791 0.93 MAPT (0.53) MAPTTHRBSMN1; SMN2ACACBACACA
SCHEMBL9761303 0.93 MAPT (0.53) MAPTTHRBSMN1; SMN2ACACBACACA
SCHEMBL9761074 0.92 MAPT (0.57) MAPTTHRBSMN1; SMN2ACACBACACA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297745-B1 OPTICALLY ACTIVE ETHER DERIVATIVES, PREPARATION PROCESSES THEREFOR, LIQUID CRYSTAL MATERIALS AND AN OPTICAL SWITCHING ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-18 EP disclosed
US-5013479-A Aromatic ether esters containing two or three benzene rings SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-05-07 US disclosed
EP-0297745-A1 Optically active ether derivatives, preparation processes therefor, liquid crystal materials and an optical switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-01-04 EP disclosed