SCHEMBL7326635

SCHEMBL7326635

CC(C)(C)[SiH](c1ccccc1)c1ccccc1.O=C1CCC(CCO)CCN1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
METAP2 P50579 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
NPC1L1 Q9UHC9 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CHRM2 P08172 6/20 0.33
CHRM4 P08173 6/20 0.33
CHRM5 P08912 6/20 0.33
CHRM1 P11229 6/20 0.33
CHRM3 P20309 6/20 0.33
ACHE P22303 3/20 0.33
DRD2 P14416 3/20 0.33
DRD4 P21917 3/20 0.33
DRD3 P35462 3/20 0.33
AKR1C3 P42330 1/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL8299798 0.76 MMP3 (0.45) MMP3MMP8METAP2MMP2MMP9
SCHEMBL7326308 0.75 DDB1 (0.33) ALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL7326631 0.70 SMYD2 (0.43) ALDH1A1TSHRSMN1; SMN2LMNASTAT3
SCHEMBL1660708 0.68 NPC1 (0.43) ALDH1A1ACHETSHRSMN1; SMN2RAB9A
SCHEMBL18155147 0.67 MBTD1 (0.49) MMP3MMP8ALDH1A1CHRM2CHRM4
SCHEMBL7576221 0.65 ROCK2 (0.44) ALDH1A1TSHRRAB9A
SCHEMBL14275864 0.64 RAB9A (0.46) ALDH1A1TSHRSMN1; SMN2LMNASTAT3
SCHEMBL136822 0.62 NPC1 (0.60) ALDH1A1TSHRSMN1; SMN2KDM4EGAA
SCHEMBL1661092 0.62 BPTF (0.44) CHRM2CHRM1CHRM3ACHERAB9A
SCHEMBL18398 0.62 MAPK1 (0.36) ALDH1A1ACHETSHRGAALMNA

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