SCHEMBL15901201

SCHEMBL15901201

CCCCCCCCCCCCCCCCC1C2C=CC(C2)C1C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
TBXA2R P21731 1/20 0.35
PTGFR P43088 1/20 0.35
PTGER2 P43116 1/20 0.35
ALDH1A1 P00352 6/20 0.33
PPARG P37231 2/20 0.33
CYP2C19 P33261 1/20 0.33
DNTT P04053 1/20 0.33
TSHR P16473 1/20 0.32
S1PR3 Q99500 2/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL13346344 0.86 POLB (0.35) ALDH1A1POLB
SCHEMBL11109792 0.84 ALOX5 (0.41) ALOX5TBXA2RPTGFRPTGER2ALDH1A1
SCHEMBL7543239 0.80 ALDH1A1 (0.41) ALOX5TBXA2RPTGFRPTGER2ALDH1A1
SCHEMBL23612574 0.79 POLB (0.37) ALDH1A1POLB
SCHEMBL13346345 0.79 POLB (0.37) ALDH1A1POLB
SCHEMBL6237982 0.78 ALDH1A1 (0.38) ALOX5TBXA2RPTGFRPTGER2ALDH1A1
SCHEMBL11735435 0.76 GBA1 (0.39)
SCHEMBL13346491 0.75 ALDH1A1 (0.35) ALDH1A1CYP2C19POLB
SCHEMBL13370694 0.74 ALDH1A1 (0.36) ALDH1A1POLB
SCHEMBL8856410 0.74 NR1I2 (0.46) TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169334-B2 Preparation of bottlebrush polymers via ring-opening metathesis polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-10-27 US disclosed
WO-2014120433-A1 PREPARATION OF BOTTLEBRUSH POLYMERS VIA RING-OPENING METATHESIS POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-08-07 WO disclosed
US-20140213732-A1 Preparation of Bottlebrush Polymers via Ring-Opening Metathesis Polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2014-07-31 US disclosed