SCHEMBL9338011

SCHEMBL9338011

CCCc1ccc(C(=S)C=Cc2cccc(OCC)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ HDAC4 P56524 2/20 0.43
▸ MEF2D Q14814 2/20 0.43
▸ MAOB P27338 3/20 0.42
▸ MAOA P21397 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ NR1H4 Q96RI1 2/20 0.40
▸ CYSLTR2 Q9NS75 2/20 0.39
▸ TLR4 O00206 1/20 0.38
▸ TLR2 O60603 1/20 0.38
▸ CYSLTR1 Q9Y271 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ EP300 Q09472 1/20 0.38
▸ SLC13A5 Q86YT5 1/20 0.37
▸ BCHE P06276 1/20 0.37

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
SCHEMBL9342447 0.92 ALDH1A1 (0.45) KDM4EALDH1A1SMN1; SMN2MAOBMAOA
SCHEMBL9342546 0.91 TLR4 (0.50) KDM4EALDH1A1SMN1; SMN2MAOBPKM
SCHEMBL9337876 0.90 CYSLTR2 (0.50) KDM4EALDH1A1SMN1; SMN2PKMCYSLTR2
SCHEMBL9342093 0.89 CYSLTR2 (0.52) KDM4EALDH1A1SMN1; SMN2CYSLTR2TLR4
SCHEMBL9342494 0.89 CYSLTR2 (0.52) KDM4EALDH1A1SMN1; SMN2CYSLTR2TLR4
SCHEMBL9337348 0.89 CYSLTR2 (0.52) KDM4EALDH1A1SMN1; SMN2CYSLTR2TLR4
SCHEMBL9338292 0.89 CYSLTR2 (0.52) KDM4EALDH1A1SMN1; SMN2CYSLTR2TLR4
SCHEMBL9339752 0.89 CYSLTR2 (0.52) KDM4EALDH1A1SMN1; SMN2CYSLTR2TLR4
SCHEMBL9338557 0.89 CYSLTR2 (0.52) KDM4EALDH1A1SMN1; SMN2CYSLTR2TLR4
SCHEMBL9338411 0.89 CYSLTR2 (0.52) KDM4EALDH1A1SMN1; SMN2CYSLTR2TLR4

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-0328668-B1 NONLINEAR OPTICAL MATERIAL NIPPON OILS & FATS CO LTD (JP) 1994-05-25 — — EP disclosed
US-5045239-A Chalcone derivative NIPPON OIL AND FATS CO., LTD. (JP) 1991-09-03 — — US disclosed
EP-0328668-A1 NONLINEAR OPTICAL MATERIAL NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
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