SCHEMBL8789732

SCHEMBL8789732

CC(CNC=O)(CC(=O)O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH7 P40394 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL9171287 0.89 ALDH1A1 (0.39) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL18626200 0.79 ADH1B (0.47) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL7821065 0.70 CYP2C19 (0.42) ALDH1A1CYP2C19HIF1AKMT2ASLC6A2
SCHEMBL9141654 0.68 ALDH1A1 (0.46) ALDH1A1CYP2C19HIF1ACYP3A4KMT2A
SCHEMBL10870263 0.68 ALDH1A1 (0.38) ALDH1A1CYP2C19KMT2ASMN1; SMN2MEN1
SCHEMBL10350106 0.68 ALDH1A1 (0.46) ALDH1A1CYP2C19CYP2C9KMT2ASLC6A2
SCHEMBL11633545 0.68 KDM4E (0.47) ALDH1A1CYP2C19HIF1AKMT2ASLC6A2
SCHEMBL24361875 0.67 KMT2A (0.47) ALDH1A1KMT2ASLC6A2SLC6A3TDP1
SCHEMBL418323 0.67 TDP1 (0.47) ALDH1A1CYP2C19HIF1AKMT2ASLC6A2
SCHEMBL27360247 0.67 ALDH1A1 (0.44) ALDH1A1CYP2C19CYP2C9KMT2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669830-A4 SUBSTITUTED DIPEPTIDE ANALOGS PROMOTE RELEASE OF GROWTH HORMONE. MERCK & CO INC (US) 1997-02-26 EP disclosed
CN-1136278-A Combination of bisphosphonates and growth hormone secretagogues MERCK & CO INC (US) 1996-11-20 CN disclosed
EP-0669830-A1 SUBSTITUTED DIPEPTIDE ANALOGS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1995-09-06 EP disclosed
WO-1994011012-A1 SUBSTITUTED DIPEPTIDE ANALOGS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-05-26 WO disclosed