SCHEMBL2394944

SCHEMBL2394944

C=C(CCCCCCCCC)C(=O)O.CC(=Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.58
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 1/20 0.55
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
ALDH1A1 P00352 1/20 0.41
EGFR P00533 1/20 0.41
ELANE P08246 1/20 0.41
THRB P10828 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PGGT1B P53609 1/20 0.41
EPHX2 P34913 1/20 0.40
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40

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
SCHEMBL8070603 1.00 AKR1C3 (0.58) AKR1C3TDP1LMNACES2CES1
Styrene SCHEMBL1628459 0.85 TDP1 (0.55) TDP1LMNACES2CES1ALDH1A1
Styrene SCHEMBL8350505 0.85 TDP1 (0.55) TDP1LMNACES2CES1ALDH1A1
Styrene SCHEMBL9354667 0.85 TDP1 (0.55) TDP1LMNACES2CES1ALDH1A1
Styrene SCHEMBL28368789 0.85 TDP1 (0.55) TDP1LMNACES2CES1ALDH1A1
Styrene SCHEMBL905411 0.85 TDP1 (0.55) TDP1LMNACES2CES1ALDH1A1
Styrene SCHEMBL6013510 0.84 TDP1 (0.51) TDP1LMNACES2CES1ALDH1A1
Styrene SCHEMBL1628229 0.84 LMNA (0.54) TDP1LMNACES2CES1ALDH1A1
Styrene SCHEMBL7619292 0.83 TDP1 (0.52) TDP1LMNACES2CES1ALDH1A1
Styrene SCHEMBL2042273 0.81 AKR1C3 (0.42) AKR1C3TDP1LMNACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110216125-A1 YELLOW PIGMENT DISPERSION E. I. DU PONT DE NEMOURS AND COMPANY 2011-09-08 US disclosed