SCHEMBL14524176

SCHEMBL14524176

CCOCCOCCOCCCCCCCCCCCNC(=O)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.50
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
EPHX1 P07099 1/20 0.42
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 3/20 0.39

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
SCHEMBL21090517 0.90 TSHR (0.49) HPGDNPC1RAB9AEPHX1TSHR
SCHEMBL24966292 0.83 POLB (0.41) EPHX2EPHX1POLBMEN1KMT2A
SCHEMBL23613237 0.83 POLB (0.42) EPHX2EPHX1POLBMEN1KMT2A
SCHEMBL25725909 0.83 EPHX2 (0.39) EPHX2EPHX1POLBMEN1KMT2A
SCHEMBL14524171 0.81 ALDH1A1 (0.40) EPHX2EPHX1TSHRPOLBMEN1
SCHEMBL25600369 0.81 EPHX2 (0.46) EPHX2EPHX1POLBHTTMEN1
SCHEMBL25885990 0.81 EPHX2 (0.46) EPHX2EPHX1POLBHTTMEN1
SCHEMBL25727322 0.81 EPHX1 (0.40) EPHX2EPHX1POLBMEN1KMT2A
SCHEMBL21206327 0.80 POLB (0.46) EPHX1TSHRPOLBMEN1KMT2A
SCHEMBL10633351 0.80 MEN1 (0.58) EPHX1POLBMEN1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208322-B2 Sensor surfaces for detecting analytes AGILENT TECHNOLOGIES, INC. (US) 2007-04-24 US disclosed