SCHEMBL28487387

SCHEMBL28487387

CCOC(=O)N(c1ccccc1)C(C)C(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.48
HSD17B10 Q99714 2/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 1/20 0.46
MAPT P10636 3/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HPGD P15428 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL20165989 0.91 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNAHSD17B10POLB
SCHEMBL9554785 0.84 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1LMNAHSD17B10POLB
SCHEMBL28138500 0.84 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1LMNAHSD17B10POLB
SCHEMBL11802073 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNAHSD17B10POLB
SCHEMBL20166110 0.80 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1LMNAHSD17B10POLB
SCHEMBL5696562 0.80 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1LMNAHSD17B10POLB
SCHEMBL28902218 0.79 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNAHSD17B10POLB
SCHEMBL9257520 0.78 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAHSD17B10POLB
SCHEMBL20165461 0.78 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNAHSD17B10POLB
SCHEMBL21522949 0.77 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAHSD17B10POLB

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
CN-109890852-B Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2020-10-20 CN disclosed