SCHEMBL28603095

SCHEMBL28603095

CC(C)c1c(O)cc(C=Cc2cc(Br)cs2)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.53
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
KCNA3 P22001 1/20 0.34
PTGS1 P23219 4/20 0.33
PTGS2 P35354 4/20 0.33
ALOX5 P09917 2/20 0.33

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
SCHEMBL28603093 1.00 AHR (0.53) AHRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28590965 0.80 AHR (0.63) AHRTUBB1PTGS1PTGS2ALOX5
SCHEMBL28590967 0.80 AHR (0.63) AHRTUBB1PTGS1PTGS2ALOX5
SCHEMBL3813128 0.75 AHR (0.61) AHRPTGS1PTGS2ALOX5LMNA
SCHEMBL3813125 0.75 AHR (0.61) AHRPTGS1PTGS2ALOX5LMNA
SCHEMBL28848557 0.74 AHR (0.51) AHRPTGS1PTGS2ALOX5
SCHEMBL28848556 0.74 AHR (0.51) AHRPTGS1PTGS2ALOX5
SCHEMBL20657984 0.74 AHR (0.69) AHRTUBB1PTGS1PTGS2ALOX5
SCHEMBL2491537 0.73 NPC1 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2491542 0.73 NPC1 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072488-A Styrene derivative and synthesis method and application thereof 广东工业大学 2021-07-06 CN claimed
CN-113072488-A Styrene derivative and synthesis method and application thereof 广东工业大学 2021-07-06 CN disclosed