SCHEMBL28259405

SCHEMBL28259405

CC1(c2cccc(O)c2N)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.38
RARG P13631 2/20 0.38
RARA P10276 1/20 0.36
G6PD P11413 1/20 0.35
CASP7 P55210 1/20 0.35
CASP6 P55212 1/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
OPRM1 P35372 4/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL2213384 0.83 RARB (0.42) RARBRARGRARAGLATSHR
SCHEMBL5589660 0.81 HSD17B10 (0.41) RARBRARGRARAGLATSHR
SCHEMBL28269460 0.76 SLC6A3 (0.38) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL11804925 0.74 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL4059983 0.73 KDM1A (0.41) CASP7SLC6A2SLC6A4SLC6A3
SCHEMBL2908382 0.73 ALDH1A1 (0.46) RARBRARGGLATSHRALOX12
SCHEMBL725435 0.72 ALDH1A1 (0.43) TSHROPRM1OPRD1OPRK1
SCHEMBL8785507 0.71 KDM1A (0.42) CASP7SLC6A2SLC6A4SLC6A3
SCHEMBL3078817 0.70 GLA (0.47) RARBRARGRARAGLATSHR
SCHEMBL12733160 0.70 RARB (0.47) RARBRARGRARAGLATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109020827-A The synthetic method of one inter-species di alkylamino group phenol 浙江山峪科技股份有限公司 2018-12-18 CN disclosed