SCHEMBL5718324

SCHEMBL5718324

Cc1sc2c(c1-c1ccc(C(C)(C)C)cc1)C=C(C(C)C)C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.34
ADRA1A P35348 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
NPSR1 Q6W5P4 4/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
CYP2C9 P11712 1/20 0.32
FPR1 P21462 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
GRIA4 P48058 2/20 0.32
GRIA2 P42262 1/20 0.32
RECQL P46063 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 2/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL5718232 0.82 HTR1D (0.37) HTR1DADRA1ANISCHALDH1A1SMN1; SMN2
SCHEMBL29534991 0.68 BRD4 (0.34) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL1808402 0.68 BRD4 (0.34) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL5718215 0.67 ALDH1A1 (0.34) HTR1DADRA1ANISCHALDH1A1SMN1; SMN2
SCHEMBL25245248 0.64 PTGS2 (0.33) ALDH1A1NPSR1HPGDNPC1RAB9A
SCHEMBL4558348 0.62 PTAFR (0.37) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL5718383 0.62 ALDH1A1 (0.37) HTR1DADRA1ANISCHALDH1A1SMN1; SMN2
SCHEMBL6018296 0.62 MAPK1 (0.37) ALDH1A1SMN1; SMN2LMNAHPGDCYP2C9
SCHEMBL25244357 0.62 APP (0.41) NISCHALDH1A1HPGDKDM4EMAPT
SCHEMBL13477889 0.61 TNF (0.46) ALDH1A1SMN1; SMN2NPSR1LMNAHPGD

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
US-7141637-B2 Metallocene compounds and process for the preparation of propylene polymers BASELL POLYOLEFINE GMBH (DE) 2006-11-28 US disclosed
EP-1448578-B1 METALLOCENE COMPOUNDS AND PROCESS FOR THE PREPARATION OF PROPYLENE POLYMERS BASELL POLYOLEFINE GMBH (DE) 2006-07-26 EP disclosed