SCHEMBL5903593

SCHEMBL5903593

CC(C)C(=O)Oc1ccc2ccccc2c1OC(=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NCEH1 Q6PIU2 10/20 0.48
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ELANE P08246 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 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
SCHEMBL10714230 0.81 ALDH1A1 (0.60) L3MBTL1ALDH1A1PGRGAAPTGS1
SCHEMBL30003172 0.81 ALOX15 (0.50) NCEH1LMNAMAPTALOX15L3MBTL1
Hydrochloric Acid SCHEMBL27504502 0.80 ALDH1A1 (0.58) LMNAL3MBTL1ALDH1A1PGRGAA
SCHEMBL28694838 0.79 ALDH1A1 (0.50) NCEH1MAPTL3MBTL1ALDH1A1PGR
SCHEMBL20398569 0.79 ELANE (0.50) LMNAMAPTALOX15CYP1A2CYP2C9
SCHEMBL9488962 0.78 HTT (0.54) NCEH1LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL10344381 0.78 NCEH1 (0.43) NCEH1LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL10440127 0.77 ALDH1A1 (0.56) NCEH1LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL29728557 0.77 NCEH1 (0.55) NCEH1LMNAMAPTALDH1A1PGR
SCHEMBL16965708 0.77 NCEH1 (0.55) NCEH1LMNAMAPTALDH1A1PGR

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-20060211684-A1 Use of alpha-2 adrenergic receptor agonists PERLEGEN SCIENCES, INC. (US) 2006-09-21 — — US disclosed
Send feedback