SCHEMBL8337121

SCHEMBL8337121

C=CCC=C(CC=C)C(=O)O.CCOCCOCC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 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
Propane SCHEMBL15303565 0.86 GRIK1 (0.32) ALDH1A1TSHRKDM4E
Butane SCHEMBL10765613 0.84 GRIK1 (0.33) TSHRKDM4E
SCHEMBL462908 0.84 TSHR (0.34) ALDH1A1TSHRKDM4E
SCHEMBL462909 0.84 TSHR (0.34) ALDH1A1TSHRKDM4E
SCHEMBL2522759 0.74 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL7679064 0.74 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL6024966 0.74 GRIK1 (0.47) ALDH1A1TSHRKDM4E
SCHEMBL5133416 0.74 GRIK1 (0.47) ALDH1A1TSHRKDM4E
SCHEMBL5133417 0.74 GRIK1 (0.47) ALDH1A1TSHRKDM4E
SCHEMBL27557763 0.73 ALDH1A1 (0.33) ALDH1A1

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-0912911-A4 1999-06-09 EP claimed
EP-0912911-A1 ACHROMATIC OPHTHALMIC LENSES INNOTECH, Inc. (US) 1999-05-06 EP claimed
US-5859685-A Achromatic ophthalmic lenses INNOTECH, INC. (US) 1999-01-12 US claimed
WO-1998003894-A1 ACHROMATIC OPHTHALMIC LENSES INNOTECH, INC. (US) 1998-01-29 WO claimed