SCHEMBL8070459

SCHEMBL8070459

CCCCOC(OCC)=C(CC)C(=O)O

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 4/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ESR1 P03372 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37
SOAT1 P35610 1/20 0.35
EPHX1 P07099 1/20 0.35
THRB P10828 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35

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
SCHEMBL79926 0.86 SOAT1 (0.46) ALDH1A1HCAR2TSHRLMNASMN1; SMN2
SCHEMBL2458458 0.77 ALDH1A1 (0.50) ALDH1A1ATMHCAR2NAAATSHR
SCHEMBL10603638 0.77 ALDH1A1 (0.48) ALDH1A1ATMHCAR2NAAATSHR
SCHEMBL7772617 0.77 ALDH1A1 (0.48) ALDH1A1ATMHCAR2NAAATSHR
SCHEMBL6905850 0.77 ALDH1A1 (0.48) ALDH1A1ATMHCAR2NAAATSHR
SCHEMBL7772543 0.77 ALDH1A1 (0.48) ALDH1A1ATMHCAR2NAAATSHR
SCHEMBL1476728 0.76 GAA (0.41) ALDH1A1HCAR2LMNASMN1; SMN2SOAT1
SCHEMBL7174086 0.74 ALDH1A1 (0.40) ALDH1A1HCAR2TSHRLMNASOAT1
SCHEMBL31186332 0.72 ALDH1A1 (0.58) ALDH1A1ATMHCAR2NAAATSHR
SCHEMBL3926298 0.72 ALDH1A1 (0.52) ALDH1A1ATMHCAR2NAAATSHR

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