SCHEMBL7519970

SCHEMBL7519970

C=C(C)C(=O)OCCSCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
THRB P10828 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL4447117 0.92 THRB (0.43) CYP2C19SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL4457186 0.90 CYP1A2 (0.40) CYP2C19ALDH1A1HPGDLMNAHTT
SCHEMBL3138267 0.88 THRB (0.40) CYP2C19SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL8982153 0.87 THRB (0.39) CYP2C19SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL5015461 0.86 THRB (0.41) SMN1; SMN2ALDH1A1HPGDLMNAHTT
SCHEMBL31518753 0.84 CYP2C19 (0.56) CYP2C19SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL13696520 0.84 CYP2C19 (0.43) CYP2C19SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL13261677 0.83 THRB (0.40) CYP2C19SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL9174810 0.82 CYP2C19 (0.47) CYP2C19SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL13484338 0.82 LMNA (0.36) CYP2C19SMN1; SMN2ALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735062-B1 ACTINIC-RADIATION-CURABLE COMPOSITION AND LENS SHEET MITSUBISHI RAYON CO (JP) 2002-01-30 EP claimed
US-6206550-B1 BACKLIGHT WITH LENS PORTION MADE FROM A CURABLE COMPOSITION WHICH INCLUDES A BIS(4-(METH)ACRYLOYL-THIOPHENYL) SULFIDE AND (METH)ACRYLATES; HIGH BRIGHTNESS-ENHANCING EFFECT ON LENSES OF PROJECTION TVS AND STEREOSCOPIC PHOTOGRAPHY. MITSUBISHI RAYON COMPANY LTD. (JP) 2001-03-27 US claimed
US-5969867-A ACRYLIC ESTERS MITSUBISHI RAYON COMPANY LTD. (JP) 1999-10-19 US claimed
EP-0735062-A1 ACTINIC-RADIATION-CURABLE COMPOSITION AND LENS SHEET MITSUBISHI RAYON CO., LTD. (JP) 1996-10-02 EP claimed