SCHEMBL6650430

SCHEMBL6650430

COC(=O)N(c1ccccn1)[C@H](C(=O)O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ LIPE Q05469 1/20 0.38
▸ MEN1 O00255 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
SCHEMBL7279887 1.00 POLB (0.39) POLBTSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL6650233 0.89 LIPE (0.40) POLBTSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL7303078 0.80 RAB9A (0.36) TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL11199882 0.79 ALDH1A1 (0.42) POLBTSHRALDH1A1SMN1; SMN2ALOX15
SCHEMBL20484557 0.74 HTT (0.49) POLBTSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL761922 0.72 ALOX15 (0.45) POLBTSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL7303471 0.71 HDAC1 (0.35) —
SCHEMBL7229706 0.71 POLB (0.42) POLBTSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL2715883 0.71 POLB (0.42) POLBTSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL7341471 0.71 ALDH1A1 (0.42) POLBTSHRALDH1A1KDM4ESMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423167-A1 METHOD FOR TREATING ALZHEIMER'S DISEASE USING QUINALDOYL-AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUTED HYDROCARBONS Elan Pharmaceuticals, Inc. (US) 2004-06-02 — — EP disclosed
WO-2003020370-A1 METHOD FOR TREATING ALZHEIMER'S DISEASE USING QUINALDOYL-AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUTED HYDROCARBONS ELAN PHARMACEUTICALS, INC. (US) 2003-03-13 — — WO disclosed
EP-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 — — EP disclosed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 — — US disclosed
US-5648497-A Retroviral protease inhibiting compounds ABBOTT LABORAOTRIES (US) 1997-07-15 — — US disclosed
US-5616714-A PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES ABBOTT LABORATORIES (US) 1997-04-01 — — US disclosed
US-5597926-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-28 — — US disclosed
US-5554783-A (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE ABBOTT LABORATORIES (US) 1996-09-10 — — US disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 — — US disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 — — US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 — — EP disclosed
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