SCHEMBL8722883

SCHEMBL8722883

CCCCCCCCCCCCCCCCC(C=Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.51
CYP1A2 P05177 1/20 0.46
HDAC3 O15379 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
GPR84 Q9NQS5 3/20 0.43
FFAR1 O14842 1/20 0.43
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43
TUBA1A Q71U36 2/20 0.43
TUBA1C Q9BQE3 2/20 0.43
TUBB6 Q9BUF5 2/20 0.43
TUBB2B Q9BVA1 2/20 0.43

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
SCHEMBL5858046 1.00 EGFR (0.51) EGFRCYP1A2HDAC3TDP1GPR84
SCHEMBL8722881 1.00 EGFR (0.51) EGFRCYP1A2HDAC3TDP1GPR84
SCHEMBL5858044 1.00 EGFR (0.51) EGFRCYP1A2HDAC3TDP1GPR84
Acrylic Acid SCHEMBL1985471 0.93 EGFR (0.46) EGFRCYP1A2HDAC3TDP1GPR84
SCHEMBL579053 0.91 EGFR (0.49) EGFRCYP1A2HDAC3TDP1TUBB4A
SCHEMBL21716147 0.82 EGFR (0.47) EGFRCYP1A2HDAC3TDP1GPR84
SCHEMBL11069954 0.82 CYP1A2 (0.53) CYP1A2HDAC3TDP1HDAC8HDAC6
SCHEMBL27642615 0.81 EGFR (0.47) EGFRTDP1TUBB4ATUBBTUBA3C
SCHEMBL11580231 0.81 PPARA (0.49) CYP1A2HDAC3HDAC8HDAC6HDAC1
SCHEMBL6526872 0.81 HDAC3 (0.43) EGFRCYP1A2HDAC3TDP1HDAC8

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
WO-1998030318-A2 COMPOUNDS FOR PRODUCING NANOPOROUS POLYMERS, NANOCOMPOSITE AND MEMBRANES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-07-16 WO disclosed