SCHEMBL8775673

SCHEMBL8775673

CC(O)OC(S)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
ADRA2C P18825 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ADRA2A P08913 1/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CHRM2 P08172 1/20 0.41
ADRA1A P35348 1/20 0.41
RGS12 O14924 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2A P28223 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL10737436 0.81 DPP4 (0.41) CYP2D6TSHRHTR2A
SCHEMBL8107074 0.77 LMNA (0.46) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL9619659 0.74 LMNA (0.43) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL29233222 0.72 IDO1 (0.45)
Isopropylbenzene SCHEMBL10797529 0.72 LMNA (0.50) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL2906245 0.72 KMT2A (0.41) LMNATSHRHTR2AKMT2A
Biphenyl SCHEMBL8163372 0.72 ALDH1A1 (0.47) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL19493898 0.70 ADRA2C (0.50) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL21473260 0.70 KDM4E (0.60) LMNAADRA2CKDM4EADRA2AHIF1A
SCHEMBL21473258 0.70 KDM4E (0.60) LMNAADRA2CKDM4EADRA2AHIF1A

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-0513358-B1 PROCESS FOR PRODUCING CYCLODEXTRIN DERIVATIVE AND POLYMER CONTAINING CYCLODEXTRIN IMMOBILIZED THEREIN TOPPAN PRINTING CO LTD (JP) 1997-10-01 EP disclosed
US-5608015-A Processes for producing cyclodextrin derivatives and polymers containing immobilized cyclodextrin therein TOPPAN PRINTING CO., LTD. (JP) 1997-03-04 US disclosed
EP-0513358-A1 PROCESS FOR PRODUCING CYCLODEXTRIN DERIVATIVE AND POLYMER CONTAINING CYCLODEXTRIN IMMOBILIZED THEREIN Toppan Printing Co., Ltd. (JP) 1992-11-19 EP disclosed