SCHEMBL9322704

SCHEMBL9322704

C=C(C)C(=O)OCC/C=C/CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.53
TSHR P16473 4/20 0.52
ADORA3 P0DMS8 2/20 0.39
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 7/20 0.38
OXER1 Q8TDS5 3/20 0.37
CYP19A1 P11511 2/20 0.37
RXRA P19793 2/20 0.37
PPARG P37231 2/20 0.37
MAPT P10636 2/20 0.37
FFAR1 O14842 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36

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
SCHEMBL9322711 1.00 THRB (0.53) THRBTSHRADORA3NR1I2PGR
SCHEMBL15062349 0.89 TSHR (0.58) THRBTSHRADORA3NR1I2PGR
SCHEMBL22444842 0.87 TSHR (0.61) THRBTSHRADORA3NR1I2PGR
SCHEMBL6437341 0.86 TSHR (0.64) THRBTSHRADORA3NR1I2PGR
SCHEMBL6437338 0.86 TSHR (0.64) THRBTSHRADORA3NR1I2PGR
SCHEMBL14844476 0.86 ADORA3 (0.44) TSHRADORA3NR1I2PGRPTGS2
SCHEMBL14844478 0.86 ADORA3 (0.44) TSHRADORA3NR1I2PGRPTGS2
SCHEMBL808520 0.84 ADORA3 (0.41) THRBTSHRADORA3NR1I2PGR
SCHEMBL808519 0.84 ADORA3 (0.41) THRBTSHRADORA3NR1I2PGR
SCHEMBL14992875 0.84 ADORA3 (0.41) THRBTSHRADORA3NR1I2PGR

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
EP-0220652-B1 Method for manufacturing phase gratings of a combination pattern-refraction modification type KURARAY CO (JP) 1994-02-02 EP disclosed
US-4777116-A RADIATION OF A MASKED THIN FILM OF A (METH)ACRYLATE POLYMER AND REACTIVE AROMATIC ALDEHYDE AND KETONE KURARAY CO., LTD. (JP) 1988-10-11 US disclosed
EP-0220652-A2 Method for manufacturing phase gratings of a combination pattern-refraction modification type Kuraray Co., Ltd. (JP) 1987-05-06 EP disclosed