SCHEMBL28101271

SCHEMBL28101271

CCCCCCCCSC(C)CCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
DNM1 Q05193 2/20 0.44
THRB P10828 2/20 0.38
TSHR P16473 2/20 0.38
OPRM1 P35372 1/20 0.37
FDPS P14324 4/20 0.35
SPHK1 Q9NYA1 1/20 0.35
LMNA P02545 1/20 0.34
CES2 O00748 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
BLM P54132 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ADH1B P00325 1/20 0.33

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
SCHEMBL27738542 1.00 EPHX1 (0.48) EPHX1DNM1THRBTSHROPRM1
SCHEMBL28101186 0.95 EPHX1 (0.48) EPHX1DNM1THRBTSHROPRM1
SCHEMBL10643424 0.95 EPHX1 (0.48) EPHX1DNM1THRBTSHROPRM1
SCHEMBL26351201 0.91 EPHX1 (0.48) EPHX1DNM1THRBTSHROPRM1
SCHEMBL26351197 0.91 EPHX1 (0.48) EPHX1DNM1THRBTSHROPRM1
SCHEMBL23026449 0.91 EPHX1 (0.48) EPHX1DNM1THRBTSHROPRM1
SCHEMBL28302651 0.91 EPHX1 (0.48) EPHX1DNM1THRBTSHROPRM1
SCHEMBL26351206 0.91 EPHX1 (0.48) EPHX1DNM1THRBTSHROPRM1
SCHEMBL10623770 0.88 EPHX1 (0.45) EPHX1DNM1THRBTSHROPRM1
SCHEMBL21609767 0.86 EPHX1 (0.42) EPHX1DNM1TSHROPRM1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105985774-B The application of nanocrystalline-ligand complex, preparation method, printing material and printing material 纳晶科技股份有限公司 2019-05-28 CN claimed
CN-105985774-A Nanocrystalline-ligand compound, preparation method of nanocrystalline-ligand compound, printing material and use of printing material 纳晶科技股份有限公司 2016-10-05 CN claimed
CN-105985774-B The application of nanocrystalline-ligand complex, preparation method, printing material and printing material 纳晶科技股份有限公司 2019-05-28 CN disclosed
CN-105985774-A Nanocrystalline-ligand compound, preparation method of nanocrystalline-ligand compound, printing material and use of printing material 纳晶科技股份有限公司 2016-10-05 CN disclosed