SCHEMBL2425661

SCHEMBL2425661

COC(=O)CCCC=CCCCC(=O)OC

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
EPHX2 P34913 1/20 0.56
ALOX5 P09917 2/20 0.50
NR1I2 O75469 1/20 0.50
PGR P06401 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
PTGS2 P35354 1/20 0.50
PDE4D Q08499 1/20 0.50
OXER1 Q8TDS5 1/20 0.50
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
MGLL Q99685 1/20 0.44

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
SCHEMBL2425660 1.00 TSHR (0.67) TSHRALDH1A1LMNAEPHX2ALOX5
SCHEMBL12886463 0.93 ALDH1A1 (0.68) TSHRALDH1A1LMNAEPHX2ALOX5
SCHEMBL2425666 0.91 TSHR (0.72) TSHRALDH1A1LMNAPGRADORA3
SCHEMBL9723299 0.91 TSHR (0.56) TSHRALDH1A1LMNAEPHX2ALOX5
SCHEMBL8838721 0.91 TSHR (0.56) TSHRALDH1A1LMNAEPHX2ALOX5
SCHEMBL23499740 0.91 TSHR (0.56) TSHRALDH1A1LMNAEPHX2ALOX5
SCHEMBL18339259 0.91 ADORA3 (0.62) TSHRALDH1A1LMNAEPHX2ALOX5
SCHEMBL10990245 0.91 TSHR (0.56) TSHRALDH1A1LMNAEPHX2ALOX5
SCHEMBL1040917 0.91 EPHX2 (0.63) TSHRALDH1A1LMNAEPHX2ALOX5
SCHEMBL23499741 0.91 TSHR (0.56) TSHRALDH1A1LMNAEPHX2ALOX5

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-4293717-A Process for preparing aldehydes and diols BAYER AKTIENGESELLSCHAFT (DE) 1981-10-06 US claimed
WO-2011110349-A2 PROCESS FOR THE PREPARATION OF DICARBOXYLIC ACIDS OR DICARBOXYLIC ACID ESTERS BY METATHESIS EMERY OLEOCHEMICALS GMBH (DE) 2011-09-15 WO disclosed
US-4293717-A Process for preparing aldehydes and diols BAYER AKTIENGESELLSCHAFT (DE) 1981-10-06 US disclosed
US-3972944-A BORON OXIDE, BORIC ACID OR BORATE AND VANADIUM OR MOLYBDENUM CONTAINING CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 US disclosed