SCHEMBL21716147

SCHEMBL21716147

CCCCCCC(C(=O)O)C(O)/C=C/c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 1/20 0.42
CYP1A2 P05177 1/20 0.42
HDAC3 O15379 3/20 0.41
TDP1 Q9NUW8 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
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40
TUBB6 Q9BUF5 2/20 0.40
TUBB2B Q9BVA1 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
SCHEMBL5858044 0.82 EGFR (0.51) EGFRGPR84FFAR1CYP1A2HDAC3
SCHEMBL8722883 0.82 EGFR (0.51) EGFRGPR84FFAR1CYP1A2HDAC3
SCHEMBL8722881 0.82 EGFR (0.51) EGFRGPR84FFAR1CYP1A2HDAC3
SCHEMBL5858046 0.82 EGFR (0.51) EGFRGPR84FFAR1CYP1A2HDAC3
SCHEMBL9111068 0.81 EGFR (0.43) EGFRHDAC3TDP1TUBB4ATUBB
SCHEMBL9112490 0.81 EGFR (0.43) EGFRHDAC3TDP1TUBB4ATUBB
SCHEMBL27642615 0.79 EGFR (0.47) EGFRTDP1TUBB4ATUBBTUBA3C
SCHEMBL301113 0.77 TRPA1 (0.47) EGFRHDAC3TDP1CSNK1EALDH1A1
SCHEMBL160811 0.77 TRPA1 (0.47) EGFRHDAC3TDP1CSNK1EALDH1A1
SCHEMBL579053 0.77 EGFR (0.49) EGFRCYP1A2HDAC3TDP1TUBB4A

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-20200048668-A1 BIOLOGICAL PRODUCTION OF ß-LACTONES REGENTS OF THE UNIVERSITY OF MINNESOTA 2020-02-13 US disclosed