SCHEMBL7326308

SCHEMBL7326308

CC(C)(C)[SiH](c1ccccc1)c1ccccc1.O=C1CC=C(CCO)CCN1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7326635 0.75 MMP3 (0.39) ALDH1A1RAB9AGAASMN1; SMN2
SCHEMBL7326300 0.70 SMYD2 (0.37) DDB1CRBNMEN1NPC1RAB9A
SCHEMBL136822 0.62 NPC1 (0.60) DDB1CRBNALDH1A1MEN1NPC1
SCHEMBL18398 0.62 MAPK1 (0.36) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL30367101 0.60 MAPK1 (0.35) ALDH1A1MEN1KMT2AGAAMAPT
Hydrochloric Acid SCHEMBL1295227 0.60 MAPK1 (0.35) ALDH1A1MEN1KMT2AGAAMAPT
Phosphoric Acid SCHEMBL28944728 0.60 TSHR (0.41) ALDH1A1MEN1KMT2AGAAMAPT
Glycerin SCHEMBL4294890 0.59 LMNA (0.36) ALDH1A1
Isobutane SCHEMBL28190489 0.58 CYP1A2 (0.37) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL1750928 0.57 NPC1 (0.52) DDB1CRBNALDH1A1MEN1NPC1

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
US-5470849-A Anticoagulants SMITHKLINE BEECHAM CORP. (US) 1995-11-28 US disclosed
EP-0557406-A4 -G(G)-TURN PEPTIDOMIMETICS AS FIBRINOGEN ANTAGONISTS 1993-10-06 EP disclosed
EP-0557406-A1 GAMMA-TURN PEPTIDOMIMETICS AS FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-09-01 EP disclosed
WO-1992007568-A1 η-TURN PEPTIDOMIMETICS AS FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1992-05-14 WO disclosed