SCHEMBL9869947

SCHEMBL9869947

CCOC(=O)N(OCC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
HPGD P15428 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.43
GLA P06280 1/20 0.43
TP53 P04637 1/20 0.42
PIN1 Q13526 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL27678665 0.87 ALDH1A1 (0.49) ALDH1A1HSD17B10MAPTCYP1A2CYP2C9
SCHEMBL29318964 0.87 ALDH1A1 (0.50) ALDH1A1HSD17B10MAPTHPGDKMT2A
SCHEMBL27728837 0.86 ALDH1A1 (0.49) ALDH1A1HSD17B10MAPTCYP1A2CYP2C9
SCHEMBL5512049 0.83 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL25336401 0.83 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7870169 0.82 CHRNB2 (0.50) ALDH1A1HSD17B10MAPTSMN1; SMN2LMNA
SCHEMBL13603966 0.81 ALDH1A1 (0.46) ALDH1A1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL5932403 0.81 ALDH1A1 (0.46) ALDH1A1HSD17B10MAPTCYP1A2CYP2C9
SCHEMBL29024419 0.81 TP53 (0.42) ALDH1A1HSD17B10MAPTCYP1A2CYP2C9
SCHEMBL30796294 0.81 SMN1; SMN2 (0.50) ALDH1A1HSD17B10MAPTCYP1A2CYP2C9

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-5006660-A Reacting a halogenbenzene with alcohol or phenol in presence od copper(or compound thereof), amine, and base FUJI PHOTO FILM CO., LTD. (JP) 1991-04-09 US disclosed