SCHEMBL7925576

SCHEMBL7925576

C=CC(=O)OCCNC(=O)CCCCCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
HPGD P15428 1/20 0.57
FAAH O00519 5/20 0.55
LPAR1 Q92633 2/20 0.52
LPAR2 Q9HBW0 2/20 0.52
ENPP2 Q13822 1/20 0.52
DNM1 Q05193 2/20 0.50
CASP2 P42575 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
CNR1 P21554 2/20 0.48
EPHX2 P34913 2/20 0.48

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
SCHEMBL25328275 1.00 TSHR (0.57) TSHRHPGDFAAHLPAR1LPAR2
SCHEMBL30121599 1.00 TSHR (0.57) TSHRHPGDFAAHLPAR1LPAR2
SCHEMBL30258755 1.00 TSHR (0.57) TSHRHPGDFAAHLPAR1LPAR2
SCHEMBL30757948 1.00 TSHR (0.57) TSHRHPGDFAAHLPAR1LPAR2
SCHEMBL30259226 1.00 TSHR (0.57) TSHRHPGDFAAHLPAR1LPAR2
SCHEMBL20158183 0.93 LPAR1 (0.63) HPGDLPAR1LPAR2ENPP2ALDH1A1
SCHEMBL31477863 0.93 LPAR1 (0.63) HPGDLPAR1LPAR2ENPP2ALDH1A1
SCHEMBL30646054 0.92 TSHR (0.57) TSHRHPGDFAAHLPAR1LPAR2
SCHEMBL30960413 0.92 TSHR (0.51) TSHRHPGDFAAHLPAR1LPAR2
SCHEMBL23553257 0.92 TSHR (0.51) TSHRHPGDFAAHLPAR1LPAR2

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-6245829-B1 ACRYLATED ESTER DSM NV (NL) 2001-06-12 US disclosed
EP-0956318-A1 RADIATION-CURABLE COMPOSITION DSM N.V. (NL) 1999-11-17 EP disclosed
WO-1998033855-A1 RADIATION-CURABLE COMPOSITION DSM N.V. (NL) 1998-08-06 WO disclosed