SCHEMBL18159313

SCHEMBL18159313

Cc1ccc(/C=C/c2ccc(N=P)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.55
PTGS2 P35354 2/20 0.55
ALOX5 P09917 1/20 0.55
NFE2L2 Q16236 7/20 0.52
RELA Q04206 1/20 0.48
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46

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
Hydrochloric Acid SCHEMBL7949484 0.83 ACHE (0.47) NPC1RAB9ASMN1; SMN2CA1CYP2D6
SCHEMBL16547155 0.81 NFE2L2 (0.56) PTGS1PTGS2ALOX5NFE2L2RELA
(E)-1,2-Di-P-Tolylethene SCHEMBL1305582 0.80 NFE2L2 (0.74) PTGS1PTGS2ALOX5NFE2L2RELA
SCHEMBL318785 0.80 NFE2L2 (0.74) PTGS1PTGS2ALOX5NFE2L2RELA
(E)-1,2-Di-P-Tolylethene SCHEMBL1305580 0.80 NFE2L2 (0.74) PTGS1PTGS2ALOX5NFE2L2RELA
SCHEMBL318786 0.80 NFE2L2 (0.74) PTGS1PTGS2ALOX5NFE2L2RELA
(E)-1,2-Di-P-Tolylethene SCHEMBL1793692 0.80 NFE2L2 (0.74) PTGS1PTGS2ALOX5NFE2L2RELA
SCHEMBL13100599 0.77 NFE2L2 (0.52) PTGS1PTGS2ALOX5NFE2L2RELA
SCHEMBL12567524 0.73 PTGS1 (0.55) PTGS1PTGS2ALOX5NFE2L2RELA
SCHEMBL2749448 0.71 NFE2L2 (0.73) PTGS1PTGS2ALOX5NFE2L2RELA

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-20160306277-A1 LIQUID PHOTOREACTIVE COMPOSITION AND METHOD OF FABRICATING STRUCTURES 3M INNOVATIVE PROPERTIES COMPANY 2016-10-20 US disclosed