SCHEMBL6131316

SCHEMBL6131316

C=C(C)C(=O)OSCCCC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALDH1A1 P00352 3/20 0.38
THRB P10828 3/20 0.37
CES2 O00748 3/20 0.34
PTGS2 P35354 4/20 0.33
CES1 P23141 3/20 0.32
THRA P10827 1/20 0.31
HPGD P15428 1/20 0.31
GMNN O75496 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
BLM P54132 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL10396981 0.92 TSHR (0.55) TSHRALDH1A1THRBCES2PTGS2
SCHEMBL19426880 0.79 ALDH1A1 (0.41) TSHRALDH1A1THRB
SCHEMBL4601142 0.79
SCHEMBL10518571 0.79
SCHEMBL28121292 0.77 TSHR (0.39) TSHRALDH1A1THRBCES2
SCHEMBL3635726 0.74
SCHEMBL2429772 0.73 TSHR (0.55) TSHRALDH1A1THRBCES2CES1
SCHEMBL7591531 0.72 NAAA (0.43) ALDH1A1THRBCES2PTGS2CES1
SCHEMBL8036382 0.72 TSHR (0.52) TSHRALDH1A1THRBPTGS2CES1
SCHEMBL9271446 0.72 TSHR (0.47) TSHRALDH1A1THRBCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110603124-B Transparent wood and preparation method thereof 切卢特克股份公司 2022-03-04 CN disclosed
CN-110603124-A Transparent wood and preparation method thereof 切卢特克股份公司 2019-12-20 CN disclosed
EP-1605025-A1 Ink stock solution for ink jet recording, method for manufacturing the same and ink for ink jet recording Fuji Photo Film Co., Ltd. (JP) 2005-12-14 EP disclosed
US-20050270349-A1 Ink stock solution for ink jet recording, method for manufacturing the same and ink for ink jet recording FUJI PHOTO FILM CO., LTD. 2005-12-08 US disclosed
EP-0273710-A2 Resin having high refractive index, process for producing said resin and optical materials composed of said resin Nippon Shokubai Kagaku Kogyo Co., Ltd (JP) 1988-07-06 EP disclosed