SCHEMBL22161982

SCHEMBL22161982

CCOc1ccc(-c2ccc(C3(O)CCC4(CC3)OCCO4)cc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.41
ALDH1A1 P00352 3/20 0.36
KDM1A O60341 2/20 0.36
NAAA Q02083 1/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC5A2 P31639 4/20 0.35
SLC5A1 P13866 1/20 0.35
FFAR1 O14842 1/20 0.34
PPARD Q03181 1/20 0.34
MGAT2 Q10469 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
FAAH O00519 1/20 0.33
RXRA P19793 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
SCHEMBL22161980 0.79 KDM1A (0.44) ALDH1A1KDM1ANAAAHSD17B10LMNA
SCHEMBL20803647 0.77 SUV39H2 (0.37) ALDH1A1KDM1ANAAAHSD17B10LMNA
SCHEMBL615013 0.76 CYP3A4 (0.38) ALDH1A1KDM1ALMNAMEN1HTT
SCHEMBL1243493 0.75 ALDH1A1 (0.40) ALDH1A1KDM1AHSD17B10LMNATSHR
SCHEMBL7146111 0.74 S1PR5 (0.42) KDM1A
SCHEMBL22622836 0.74 KDM1A (0.42) SSTR5ALDH1A1KDM1ANAAAHSD17B10
SCHEMBL9484876 0.73 L3MBTL1 (0.53) ALDH1A1KDM1ANAAAHSD17B10MEN1
SCHEMBL19066479 0.73 AKR1C3 (0.39) SSTR5KDM1ANAAAMGAT2CYP3A4
SCHEMBL14403245 0.71 DRD2 (0.39) ALDH1A1
SCHEMBL2507025 0.71 ALDH1A1 (0.38) ALDH1A1HSD17B10LMNATSHRMEN1

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
US-20200199451-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-06-25 US disclosed