SCHEMBL5885484

SCHEMBL5885484

C=CN1CCCC1=O.O=S(=O)(O)C=Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.39
HSP90AA1 P07900 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 3/20 0.37
YAP1 P46937 1/20 0.36
TEAD4 Q15561 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.35
LMNA P02545 3/20 0.34
GPR183 P32249 1/20 0.34
PPARG P37231 1/20 0.34
NFE2L2 Q16236 1/20 0.34
RCE1 Q9Y256 1/20 0.34

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
Acrylonitrile SCHEMBL9757731 0.93 KMT2A (0.35) KMT2AMEN1HSP90AA1SMN1; SMN2TSHR
SCHEMBL27857165 0.82 TSHR (0.48) KMT2AMEN1SMN1; SMN2TSHRMAPT
SCHEMBL28798508 0.81 KDM4E (0.38) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
Styrene SCHEMBL668985 0.80 ALDH1A1 (0.47) SMN1; SMN2TSHRALDH1A1MAPTRCE1
Vinylsulfonic Acid SCHEMBL7905559 0.78 MEN1 (0.35) KMT2AMEN1TSHRLMNA
Sulfuric Acid SCHEMBL10757867 0.78 BRD4 (0.35) KMT2AMEN1TSHRALDH1A1GAA
Benzene SCHEMBL28167208 0.78 BRD4 (0.38) KMT2AMEN1TSHRALDH1A1MAPT
Styrene SCHEMBL27827369 0.77 ALDH1A1 (0.44) TSHRALDH1A1MAPTRCE1
SCHEMBL4535906 0.77 SIGMAR1 (0.35) KMT2AMEN1SMN1; SMN2TSHRMAPK1
Phenol SCHEMBL28219670 0.77 KMT2A (0.40) KMT2AMEN1TSHRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110167361-A The preparation method of hydrogen material and the preparation facilities of hydrogen material 株式会社新菱 2019-08-23 CN disclosed
US-6986979-B2 Microcapsule composition EASTMAN KODAK COMPANY (US) 2006-01-17 US disclosed
WO-2005073805-A2 COMPOSITION COMPRISING MICROCAPSULES EASTMAN KODAK COMPANY (US) 2005-08-11 WO disclosed
US-20050164116-A1 Microcapsule composition EASTMAN KODAK COMPANY 2005-07-28 US disclosed
EP-0397325-B1 PROCESS FOR PRODUCING MICROCAPSULES JUJO PAPER CO., LTD. (JP) 1992-12-09 EP disclosed
US-5061410-A PROCESS FOR PRODUCING MICROCAPSULES JUJU PAPER CO., LTD. (JP) 1991-10-29 US disclosed
EP-0397325-A1 Process for producing microcapsules JUJO PAPER CO., LTD. (JP) 1990-11-14 EP disclosed