SCHEMBL27799400

SCHEMBL27799400

CCOC(=O)C(=O)OC1CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
ALDH1A1 P00352 4/20 0.42
GAA P10253 3/20 0.41
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GLO1 Q04760 1/20 0.40
EPHX1 P07099 1/20 0.39
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
NAAA Q02083 1/20 0.37

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
SCHEMBL28757900 0.94 EPHX1 (0.44) MAPTALDH1A1GAALMNAHSD17B10
SCHEMBL6541881 0.92 EPHX1 (0.52) MAPTALDH1A1GAAHSD17B10EPHX1
Hydrochloric Acid SCHEMBL28155166 0.92 EPHX1 (0.43) MAPTALDH1A1GAALMNAHSD17B10
SCHEMBL28318233 0.90 SMYD3 (0.43) MAPTALDH1A1GAALMNAHSD17B10
SCHEMBL4461493 0.81 ALDH1A1 (0.47) ALDH1A1LMNANPSR1EPHX1TSHR
Alcohol SCHEMBL3398638 0.79 ALDH1A1 (0.56) MAPTALDH1A1GAALMNAHSD17B10
SCHEMBL9823358 0.79 ALDH1A1 (0.62) MAPTALDH1A1GAALMNAHSD17B10
SCHEMBL1331989 0.79 ALDH1A1 (0.62) MAPTALDH1A1GAALMNAHSD17B10
SCHEMBL7262 0.79 ALDH1A1 (0.62) MAPTALDH1A1GAALMNAHSD17B10
SCHEMBL12881710 0.79 CHRM1 (0.46) MAPTALDH1A1

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-101679273-A 1-substituted tetrahydroisoquinoline compound ASTELLAS PHARMA INC 2010-03-24 CN disclosed