SCHEMBL11683085

SCHEMBL11683085

COc1ccc(C=O)cc1OCCOC(C)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.68
MAPT P10636 5/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
NPSR1 Q6W5P4 2/20 0.63
LMNA P02545 1/20 0.63
HTT P42858 1/20 0.63
ALDH1A1 P00352 12/20 0.58
TSHR P16473 1/20 0.58
CYP2C9 P11712 3/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HPGD P15428 5/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
HSP90AA1 P07900 1/20 0.52
CYP2D6 P10635 1/20 0.51
AOX1 Q06278 1/20 0.50
TRIM24 O15164 1/20 0.50
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50

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
SCHEMBL944536 0.94 FDPS (0.77) FDPSMAPTSMN1; SMN2NPSR1LMNA
SCHEMBL7661907 0.88 FDPS (0.86) FDPSMAPTSMN1; SMN2NPSR1LMNA
SCHEMBL7141303 0.86 FDPS (0.68) FDPSMAPTSMN1; SMN2NPSR1LMNA
SCHEMBL944572 0.84 FDPS (0.53) FDPSMAPTSMN1; SMN2NPSR1LMNA
SCHEMBL1515797 0.83 FDPS (0.78) FDPSMAPTSMN1; SMN2NPSR1LMNA
SCHEMBL5974454 0.83 FDPS (0.77) FDPSMAPTSMN1; SMN2NPSR1LMNA
SCHEMBL28543540 0.83 FDPS (0.51) FDPSMAPTSMN1; SMN2NPSR1LMNA
SCHEMBL944151 0.83 FDPS (0.51) FDPSMAPTSMN1; SMN2NPSR1LMNA
SCHEMBL944568 0.83 FDPS (0.51) FDPSMAPTSMN1; SMN2NPSR1LMNA
3,4-Dimethoxybenzaldehyde SCHEMBL28214364 0.82 ALDH1A1 (0.67) FDPSMAPTSMN1; SMN2NPSR1LMNA

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-4053415-A UNSATURATED POLYESTER ETHER HAVING A PHOTOCROSSLINKABLE MOIETY FUJI PHOTO FILM CO., LTD. (JA) 1977-10-11 US disclosed