SCHEMBL7977708

SCHEMBL7977708

[CH2]C(C)c1cccc(C(=C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
CYP3A4 P08684 2/20 0.40
RECQL P46063 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
PMP22 Q01453 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CXCL8 P10145 1/20 0.40
THPO P40225 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL299924 0.86 MAPT (0.46) GBA1SMN1; SMN2PTGS1PTGS2MAPT
SCHEMBL31529664 0.86 MAPT (0.46) GBA1SMN1; SMN2PTGS1PTGS2MAPT
SCHEMBL20327221 0.84 GBA1 (0.43) GBA1SMN1; SMN2PTGS1PTGS2MAPT
SCHEMBL7757000 0.84 MEN1 (0.43) GBA1SMN1; SMN2PTGS1PTGS2MAPT
SCHEMBL5165244 0.79 GBA1 (0.43) GBA1SMN1; SMN2PTGS1PTGS2MAPT
SCHEMBL12614429 0.79 CYP3A4 (0.39) GBA1SMN1; SMN2PTGS1PTGS2MAPT
SCHEMBL16960791 0.78 ANPEP (0.54) SMN1; SMN2PTGS1PTGS2MAPTALDH1A1
SCHEMBL9245208 0.78 TAAR1 (0.50) GBA1SMN1; SMN2PTGS1PTGS2MAPT
SCHEMBL1345165 0.78 PTGS2 (0.68) SMN1; SMN2PTGS1PTGS2MAPTALDH1A1
SCHEMBL167439 0.78 FURIN (0.43) MAPTLMNAHTTL3MBTL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001040193-A1 METHOD FOR THE SYNTHESIS OF PYRAZOLINES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-06-07 WO claimed
WO-2001040193-A1 METHOD FOR THE SYNTHESIS OF PYRAZOLINES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-06-07 WO disclosed
EP-0881250-B1 Process for preparing organosilicon compounds having hydrogen bound to silicon WACKER CHEMIE GMBH (DE) 1999-11-24 EP disclosed
US-5866707-A Process for preparing organosilicon compounds having Si-bonded hydrogen atoms WACKER-CHEMIE GMBH (DE) 1999-02-02 US disclosed
EP-0881250-A1 Process for preparing organosilicon compounds having hydrogen bound to silicon Wacker-Chemie GmbH (DE) 1998-12-02 EP disclosed