SCHEMBL9709320

SCHEMBL9709320

C=CCC=C(C)C(=O)OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.57
NAAA Q02083 1/20 0.44
HPGD P15428 1/20 0.43
HCAR2 Q8TDS4 2/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EPHX1 P07099 1/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
FAAH O00519 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
CES2 O00748 1/20 0.40
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL10761848 1.00 TSHR (0.57) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL325190 0.98 TSHR (0.54) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL8971295 0.93 TSHR (0.50) TSHRNAAAHPGDHCAR2LMNA
SCHEMBL3105371 0.89 TSHR (0.42) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL10764193 0.86 TSHR (0.38) TSHRHPGDHCAR2LMNAALDH1A1
SCHEMBL236897 0.83 TSHR (0.59) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL29117607 0.83 TSHR (0.59) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL375393 0.83 TSHR (0.59) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL374916 0.83 TSHR (0.59) TSHRNAAAHCAR2RAD52NPSR1
SCHEMBL11142775 0.83 TSHR (0.59) TSHRNAAAHCAR2RAD52NPSR1

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-5171267-A Surface-modified self-passivating intraocular lenses THE BOARD OF REGENTS OF THE UNIVERSITY OF WASHINGTON (US) 1992-12-15 US disclosed
WO-1992016168-A1 SURFACE-MODIFIED SELF-PASSIVATING INTRAOCULAR LENSES THE BOARD OF REGENTS OF THE UNIVERSITY OF WASHINGTON (US) 1992-10-01 WO disclosed
US-4994352-A Optical memory media THE DOW CHEMICAL COMPANY (US) 1991-02-19 US disclosed