Sugi Predict

Sugi Predict / Compounds / SCHEMBL27870205

SCHEMBL27870205

SCHEMBL27870205

COC1(OC)c2ccccc2CCC1C=O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 1/20 0.37
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL27870206 0.81 MAPK1 (0.38) SRD5A1MAPK1SMN1; SMN2LMNATDP1
SCHEMBL8735165 0.77 MAPK1 (0.38) SRD5A1MAPK1SMN1; SMN2
SCHEMBL11015570 0.76 HTR2A (0.41) SRD5A1MAPK1SMN1; SMN2LMNATDP1
SCHEMBL27338120 0.76 MAPK1 (0.41) MAPK1SMN1; SMN2
SCHEMBL11016193 0.72 SRD5A1 (0.37) SRD5A1LMNATDP1
SCHEMBL3706503 0.72 MAPK1 (0.44) SRD5A1MAPK1SMN1; SMN2
SCHEMBL1338448 0.67 PLAU (0.46) —
SCHEMBL8734065 0.66 SIGMAR1 (0.40) MAPK1
Hydrochloric Acid SCHEMBL25189036 0.65 KDM1A (0.41) MAPK1
SCHEMBL27887254 0.65 SRD5A1 (0.41) SRD5A1MAPK1SMN1; SMN2LMNATDP1

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
CN-102424670-A Method for synthesizing 3- (3-chloropropyl) -1,3,4, 5-tetrahydro-7, 8-dimethoxy-2H-3-benzazepin-2-ketone JIANGSU ALPHA PHARMACEUTICAL CO LTD 2012-04-25 — — CN claimed
CN-102424670-A Method for synthesizing 3- (3-chloropropyl) -1,3,4, 5-tetrahydro-7, 8-dimethoxy-2H-3-benzazepin-2-ketone JIANGSU ALPHA PHARMACEUTICAL CO LTD 2012-04-25 — — CN disclosed