SCHEMBL9175019

SCHEMBL9175019

CC(C)C[Si](O[Si](CC(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
ANPEP P15144 1/20 0.32
LAP3 P28838 1/20 0.32
TAAR1 Q96RJ0 4/20 0.31
SLC6A2 P23975 2/20 0.31
MAOA P21397 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CYP2A6 P11509 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
ATM Q13315 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
TSHR P16473 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL18270226 0.82 ALDH1A1 (0.35) LMNAMAOAALDH1A1HPGDTSHR
SCHEMBL7479973 0.76 LMNA (0.30) LMNA
SCHEMBL8003670 0.75 ELANE (0.37) LMNAATMALDH1A1TSHR
SCHEMBL13621397 0.75 TP53 (0.36) LMNAALDH1A1HPGDESR1ESR2
SCHEMBL3885758 0.75 MAOA (0.35) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL9459938 0.73 ALDH1A3 (0.45) LMNACYP2A6ALDH1A1HPGD
SCHEMBL301746 0.72 LMNA (0.31) LMNATAAR1SLC6A2MAOASLC6A4
SCHEMBL8536402 0.71 LMNA (0.35) LMNAANPEPLAP3ALDH1A1HPGD
SCHEMBL1315704 0.71 AOC3 (0.33) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL273159 0.71 ESR1 (0.35) LMNATAAR1SLC6A2MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3271468-A1 DEAMINATION OF ORGANOPHOSPHORUS-NUCLEOSIDES Institut Univ. de Ciència i Tecnologia, S.A. (ES) 2018-01-24 EP disclosed
WO-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
WO-2016146808-A1 DEAMINATION OF ORGANOPHOSPHORUS-NUCLEOSIDES INSTITUT UNIV. DE CIÈNCIA I TECNOLOGIA, S. A. (ES) 2016-09-22 WO disclosed
EP-2970344-A2 METHODS FOR THE SYNTHESIS OF SPHINGOMYELINS AND DIHYDROSPHINGOMYELINS Cerenis Therapeutics Holding SA (FR) 2016-01-20 EP disclosed
WO-2014140787-A2 METHODS FOR THE SYNTHESIS OF SPHINGOMYELINS AND DIHYDROSPHINGOMYELINS CERENIS THERAPEUTICS HOLDING SA (FR) 2014-09-18 WO disclosed
EP-0529528-B1 Novel vitamin D3 analogues DAIKIN IND LTD (JP) 1995-04-19 EP disclosed
EP-0593464-A1 BENZOIC ACID DERIVATIVES and their use as LTB4 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
US-5210237-A VITAMIN D3 ANALOGUES DAIKIN INDUSTRIES, LTD. (JP) 1993-05-11 US disclosed
EP-0529528-A2 Novel vitamin D3 analogues DAIKIN INDUSTRIES, LTD. (JP) 1993-03-03 EP disclosed
EP-0593464-A4 BENZOIC ACID DERIVATIVES. SMITHKLINE BEECHAM CORP (US) 1993-02-12 EP disclosed
WO-1991018601-A1 BENZOIC ACID DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 WO disclosed