SCHEMBL7320247

SCHEMBL7320247

CCC=C[C@H](COC1CCCCO1)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ITGB1 P05556 2/20 0.34
ITGA4 P13612 2/20 0.34
CREBBP Q92793 2/20 0.32
EP300 Q09472 1/20 0.32
SLC6A3 Q01959 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7330307 0.83 MEN1 (0.39) KDM4CMEN1KMT2AITGB1ITGA4
SCHEMBL10433458 0.81 CREBBP (0.37) KDM4CMEN1KMT2AITGB1ITGA4
SCHEMBL10433460 0.81 CREBBP (0.37) KDM4CMEN1KMT2AITGB1ITGA4
SCHEMBL17846160 0.79 MEN1 (0.41) KDM4CMEN1KMT2AITGB1ITGA4
SCHEMBL7097200 0.76 EPHX1 (0.43) KDM4CMEN1KMT2A
SCHEMBL10433383 0.74 KDM4C (0.39) KDM4CMEN1KMT2AITGB1ITGA4
SCHEMBL7098095 0.74 KDM4C (0.39) KDM4CMEN1KMT2AITGB1ITGA4
SCHEMBL10433401 0.73 KDM4C (0.39) KDM4CMEN1KMT2AITGB1ITGA4
SCHEMBL10433363 0.73 EPHX1 (0.51) KDM4CMEN1KMT2AITGB1ITGA4
SCHEMBL7050550 0.72 SIGMAR1 (0.39) KDM4CMEN1KMT2AITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed