SCHEMBL9509839

SCHEMBL9509839

C=CCOC(C)CCCCC(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
BLM P54132 1/20 0.42
ACE2 Q9BYF1 1/20 0.40
GABRR1 P24046 2/20 0.38
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 1/20 0.35
TBXAS1 P24557 2/20 0.35
HDAC2 Q92769 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
LTB4R Q15722 1/20 0.32
CA1 P00915 1/20 0.32
TSHR P16473 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
SCHEMBL9507536 0.98 ACE2 (0.42) LTA4HBLMACE2GABRR1CYP1A2
SCHEMBL9509855 0.98 ACE2 (0.42) LTA4HBLMACE2GABRR1CYP1A2
SCHEMBL9511276 0.97 BLM (0.46) LTA4HBLMACE2GABRR1CYP1A2
SCHEMBL9507515 0.91 GABRR1 (0.42) LTA4HBLMACE2GABRR1CYP1A2
SCHEMBL9511112 0.78 MAPT (0.37) TDP1ALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL5537143 0.78 TSHR (0.40) LTA4HCYP1A2TDP1HDAC2ALDH1A1
SCHEMBL6467537 0.77 TSHR (0.58) LTA4HBLMACE2GABRR1CYP1A2
SCHEMBL9511261 0.77 MAPT (0.39) TDP1ALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL9511222 0.77 MAPT (0.39) TDP1ALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL12564049 0.76 LTA4H (0.48) LTA4HBLMACE2GABRR1CYP1A2

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-0388960-B1 OPTICALLY ACTIVE COMPOUNDS AND THEIR PREPARATION AND USE HITACHI, LTD. (JP) 1993-10-06 EP disclosed
US-5152919-A Stability, chemical resistance, high speed response, large spo ntaneous polarization, molecular orientation and wide temperat ure range HITACHI, LTD. (JP) 1992-10-06 US disclosed
EP-0388960-A1 Optically active compounds and their preparation and use HITACHI, LTD. (JP) 1990-09-26 EP disclosed