SCHEMBL8947031

SCHEMBL8947031

C=CCOC(CC)=C(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ALDH1A1 P00352 2/20 0.32
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
SCHEMBL6901037 1.00 TSHR (0.41) TSHRCYP3A4TDP1PKMSMN1; SMN2
SCHEMBL20819805 0.85 TSHR (0.46) TSHRCYP3A4TDP1PKMSMN1; SMN2
SCHEMBL20819807 0.84 MEN1 (0.36) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL5710506 0.79 TDP1 (0.37) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL2144022 0.79 TSHR (0.40) TSHRCYP3A4TDP1PKMSMN1; SMN2
SCHEMBL465993 0.78 TSHR (0.40) TSHRCYP3A4TDP1PKMSMN1; SMN2
SCHEMBL1024005 0.78 TSHR (0.40) TSHRCYP3A4TDP1PKMSMN1; SMN2
SCHEMBL222774 0.77 ALDH1A1 (0.46) TSHRTDP1PKMMAPTALDH1A1
SCHEMBL126032 0.77 ALDH1A1 (0.46) TSHRTDP1PKMMAPTALDH1A1
SCHEMBL3762398 0.77 HPGD (0.31) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5587244-A Low pressure medical silicone gasket DR. DAVID E. FLINCHBAUGH 1996-12-24 US disclosed
US-5179134-A Acryloyloxysilyl compound with a silicone and a photoinitiator for sealants, coatings and potting material which are curable LOCTITE CORPORATION (US) 1993-01-12 US disclosed