SCHEMBL19513402

SCHEMBL19513402

COC(=O)C1CCC(C(=O)OC2CCC(OC(=O)C3CCC(C(O)O)CC3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
IDO1 P14902 1/20 0.36
POLB P06746 1/20 0.33
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 1/20 0.32
ALDH1A1 P00352 2/20 0.31
BRD4 O60885 1/20 0.31
DEGS1 O15121 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL21702260 0.89 TP53 (0.44) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20082878 0.82 SMN1; SMN2 (0.45) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19431354 0.81 PPM1B (0.33) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19431485 0.81 PPM1B (0.33) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19431462 0.80 KMT2A (0.45) SMN1; SMN2POLB
SCHEMBL22054677 0.80 TP53 (0.41) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL22417521 0.80 SMN1; SMN2 (0.54) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19431515 0.80 PPM1B (0.42) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19431351 0.80 PPM1B (0.42) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19431479 0.80 PPM1B (0.42) TP53CHRNB2CHRNA4CHRNB4CHRNA3

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-11193065-B2 Liquid crystal composition, method of producing the same, and retardation film constituted from the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-12-07 US disclosed
US-20170306234-A1 LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 US disclosed