SCHEMBL7083729

SCHEMBL7083729

Cc1cc(Oc2ccc(O)c(C)c2)cc(Oc2ccc(O)c(C)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTPN1 P18031 2/20 0.45
PDE10A Q9Y233 1/20 0.42
ESR1 P03372 4/20 0.41
ESR2 Q92731 3/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 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
SCHEMBL30058647 0.89 TP53 (0.54) TP53TDP1ALDH1A1PDE10AESR1
SCHEMBL135848 0.89 TP53 (0.54) TP53TDP1ALDH1A1PDE10AESR1
SCHEMBL23519853 0.86 ALDH1A1 (0.47) TP53TDP1ALDH1A1SMN1; SMN2PDE10A
SCHEMBL17716506 0.86 TP53 (0.46) TP53TDP1ALDH1A1SMN1; SMN2PDE10A
SCHEMBL9623629 0.82 ESR1 (0.58) TP53TDP1PDE10AESR1ESR2
SCHEMBL923019 0.82 TP53 (0.46) TP53TDP1ALDH1A1PDE10AESR1
SCHEMBL4101422 0.80 LTA4H (0.54) TP53TDP1ESR1ESR2KMT2A
SCHEMBL17460780 0.80 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2PTPN1ESR1ESR2
SCHEMBL2263840 0.77 TP53 (0.42) TP53TDP1ALDH1A1SMN1; SMN2PDE10A
SCHEMBL24321463 0.77 TUBB1 (0.53) TP53TDP1ALDH1A1SMN1; SMN2PDE10A

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-20030191023-A1 Thermosensitive recording material FUJI PHOTO FILM CO., LTD. 2003-10-09 US disclosed