SCHEMBL7869090

SCHEMBL7869090

CCOC(=O)C(=O)c1ccccc1.COC(=O)C(=O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
MAPT P10636 2/20 0.65
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CES2 O00748 4/20 0.48
CES1 P23141 4/20 0.48
CYP19A1 P11511 2/20 0.48
NPC1 O15118 2/20 0.47
TSHR P16473 2/20 0.47
ATM Q13315 1/20 0.47
GAA P10253 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL97859 0.93 ALDH1A1 (0.73) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
Water SCHEMBL27483870 0.91 ALDH1A1 (0.71) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
Alcohol SCHEMBL27617256 0.87 CES1 (0.53) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL42428 0.87 TSHR (0.60) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
Benzene SCHEMBL28195988 0.87 TSHR (0.60) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
Ethyl Pyruvate SCHEMBL11359579 0.86 ALDH1A1 (0.65) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL28248517 0.85 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
Water SCHEMBL27946908 0.85 TSHR (0.58) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL31042902 0.85 TSHR (0.58) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
Methyl Alcohol SCHEMBL27896190 0.85 TSHR (0.58) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161518-A2 TOWELETTE PRODUCT UNILEVER PLC (GB) 2001-12-12 EP disclosed
WO-2000056271-A2 TOWELETTE PRODUCT UNILEVER PLC (GB) 2000-09-28 WO disclosed