SCHEMBL8070458

SCHEMBL8070458

CCCCO/C(C(=O)O)=C(\CC)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
ATM Q13315 1/20 0.42
HCAR2 Q8TDS4 3/20 0.42
NAAA Q02083 1/20 0.41
TSHR P16473 5/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ESR1 P03372 2/20 0.37
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SOAT1 P35610 1/20 0.35
EPHX1 P07099 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
NR1H2 P55055 1/20 0.35
RNASEL Q05823 1/20 0.35
ACHE P22303 3/20 0.34

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
SCHEMBL28398584 0.84 SOAT1 (0.44) ALDH1A1HCAR2TSHRSMN1; SMN2SOAT1
SCHEMBL79925 0.84 SOAT1 (0.44) ALDH1A1HCAR2TSHRSMN1; SMN2SOAT1
SCHEMBL10603638 0.77 ALDH1A1 (0.48) ALDH1A1ATMHCAR2NAAATSHR
SCHEMBL1476724 0.76 GAA (0.41) ALDH1A1HCAR2SMN1; SMN2SOAT1LMNA
SCHEMBL263237 0.75 ALDH1A1 (0.50) ALDH1A1ATMHCAR2NAAATSHR
SCHEMBL125261 0.73 ALDH1A1 (0.54) ALDH1A1ATMHCAR2NAAATSHR
SCHEMBL6065999 0.73 ALDH1A1 (0.54) ALDH1A1ATMHCAR2NAAATSHR
SCHEMBL7174082 0.72 ALDH1A1 (0.39) ALDH1A1HCAR2TSHRSOAT1LMNA
SCHEMBL1275023 0.71 ALDH1A1 (0.42) ALDH1A1ATMHCAR2NAAATSHR
SCHEMBL16976428 0.71 KDM4E (0.40) ALDH1A1ATMHCAR2TSHRHPGD

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-0015627-B1 MODIFIED MONOOLEFIN COPOLYMER ELASTOMER WITH IMPROVED HEAT AND OIL RESISTANCE UNIROYAL, INC. (US) 1984-08-08 EP claimed
EP-0016493-B1 COPOLYMER ELASTOMER WITH IMPROVED HEAT AND OIL RESISTANCE BASED ON MODIFIED CHLORINATED POLYETHYLENE UNIROYAL, INC. (US) 1984-07-04 EP claimed
EP-0745108-B1 ELASTICITY IMPARTING AGENTS FOR PAINTS, A METHOD OF MANUFACTURE AND PAINTS BASF COATINGS AG (DE) 2000-09-06 EP disclosed