SCHEMBL8610496

SCHEMBL8610496

CC(C)=CCN(CC=C(C)C)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
CYP1A2 P05177 1/20 0.44
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
CPA1 P15085 2/20 0.40
CPA3 P15088 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
FOLH1 Q04609 1/20 0.40
CPB1 P15086 1/20 0.40
CPB2 Q96IY4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL8610495 1.00 ALPI (0.46) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2296250 0.81 CYP1A2 (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2296245 0.81 CYP1A2 (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1063981 0.78 CYP1A2 (0.52) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1063983 0.78 CYP1A2 (0.52) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28718550 0.76 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2319694 0.76 CYP1A2 (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8202673 0.76 CYP1A2 (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7555192 0.76 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7555186 0.76 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5

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-0708638-A4 METHODS AND COMPOSITIONS FOR TREATING DEPRESSION AND OTHER PSYCHIATRIC DISORDERS SABELLI HECTOR C (US) 1998-05-06 EP disclosed
EP-0708638-A1 METHODS AND COMPOSITIONS FOR TREATING DEPRESSION AND OTHER PSYCHIATRIC DISORDERS SABELLI, Hector C. (US) 1996-05-01 EP disclosed
US-5455276-A Method for treating depression SABELLI HECTOR C (US) 1995-10-03 US disclosed
WO-1994027588-A1 METHODS AND COMPOSITIONS FOR TREATING DEPRESSION AND OTHER PSYCHIATRIC DISORDERS SABELLI HECTOR C (US) 1994-12-08 WO disclosed