SCHEMBL9843249

SCHEMBL9843249

C=C(C)COC(C)Oc1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.40
TSHR P16473 3/20 0.40
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
MAPT P10636 6/20 0.38
GAA P10253 5/20 0.38
LMNA P02545 5/20 0.38
JAK2 O60674 1/20 0.38
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 3/20 0.32
CYP3A4 P08684 2/20 0.32
HPGD P15428 2/20 0.32
ALOX15 P16050 2/20 0.32
NPC1 O15118 1/20 0.32
CA12 O43570 1/20 0.32
GMNN O75496 1/20 0.32

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
SCHEMBL10764863 0.90 ALDH1A1 (0.38) MAPTGAALMNAALDH1A1KDM4E
SCHEMBL5097398 0.80 ATM (0.33) MAPTTDP1
SCHEMBL11554545 0.80 TSHR (0.45) TP53TSHRCA2CA1MAPT
SCHEMBL6055639 0.79 ADRA2A (0.43)
SCHEMBL8747528 0.78 CA2 (0.56) TP53TSHRCA2CA1MAPT
SCHEMBL9181136 0.78 MTNR1A (0.42) TP53GAALMNAALDH1A1KDM4E
SCHEMBL8390273 0.75 GAA (0.55) TP53TSHRCA2CA1MAPT
SCHEMBL10870364 0.75 POLB (0.38) GAAALDH1A1POLBL3MBTL1MEN1
SCHEMBL11771306 0.75 CA2 (0.52) TP53TSHRCA2CA1MAPT
SCHEMBL10878354 0.75 CA2 (0.58) TP53TSHRCA2CA1MAPT

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
EP-0412570-A2 Light- and heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1991-02-13 EP disclosed