SCHEMBL172729

SCHEMBL172729

CC[C@H](C)NC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.50
SHBG P04278 1/20 0.42
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
EPHX2 P34913 2/20 0.39
ADRB2 P07550 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.35
SLC6A4 P31645 1/20 0.35
ALDH1A1 P00352 2/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL16937601 1.00 EPHX1 (0.50) EPHX1SHBGGAAL3MBTL1CYP2C9
SCHEMBL172339 1.00 EPHX1 (0.50) EPHX1SHBGGAAL3MBTL1CYP2C9
SCHEMBL16937617 0.98 EPHX1 (0.53) EPHX1SHBGGAAL3MBTL1CYP2C9
SCHEMBL1149128 0.98 EPHX1 (0.53) EPHX1SHBGGAAL3MBTL1CYP2C9
SCHEMBL14605831 0.98 EPHX1 (0.53) EPHX1SHBGGAAL3MBTL1CYP2C9
SCHEMBL17821888 0.98 EPHX1 (0.48) EPHX1SHBGGAAL3MBTL1CYP2C9
SCHEMBL7775285 0.98 EPHX1 (0.53) EPHX1SHBGGAAL3MBTL1CYP2C9
SCHEMBL172679 0.98 EPHX1 (0.53) EPHX1SHBGGAAL3MBTL1CYP2C9
SCHEMBL17041918 0.95 EPHX1 (0.47) EPHX1SHBGGAAL3MBTL1CYP2C9
SCHEMBL17821880 0.95 EPHX1 (0.52) EPHX1SHBGGAAL3MBTL1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230051404-A1 IMMUNOGENIC COMPOSITIONS COMPRISING NUCLEIC ACIDS FOR RAS PEPTIDES Think Therapeutics, Inc. 2023-02-16 US disclosed
US-20220160848-A1 IMMUNOGENIC COMPOSITIONS COMPRISING NUCLEIC ACIDS FOR RAS PEPTIDES Think Therapeutics, Inc. 2022-05-26 US disclosed
US-11235039-B1 Immunogenic compositions comprising nucleic acids for RAS peptides Think Therapeutics, Inc. (US) 2022-02-01 US disclosed
US-11058751-B1 Compositions for optimized RAS peptide vaccines Think Therapeutics, Inc. (US) 2021-07-13 US disclosed
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed