SCHEMBL8607972

SCHEMBL8607972

C[C](C=Cc1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
GLA P06280 1/20 0.59
MAPT P10636 7/20 0.57
CYP1B1 Q16678 6/20 0.57
MAOB P27338 4/20 0.57
PLIN1 O60240 2/20 0.57
LMNA P02545 2/20 0.57
RECQL P46063 2/20 0.57
PLIN5 Q00G26 2/20 0.57
ABHD5 Q8WTS1 2/20 0.57
BCHE P06276 2/20 0.57
TNFRSF1A P19438 2/20 0.57
ACHE P22303 1/20 0.57
ALOX15 P16050 1/20 0.55
ALDH1A1 P00352 3/20 0.52
HDAC3 O15379 3/20 0.52
HDAC4 P56524 3/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC8 Q9BY41 3/20 0.52

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
SCHEMBL11860204 0.78 TDP1 (0.55) TDP1GLAMAPTCYP1B1MAOB
SCHEMBL27460062 0.78 TDP1 (0.55) TDP1GLAMAPTCYP1B1MAOB
SCHEMBL5350413 0.78 GLA (0.67) TDP1GLAMAPTCYP1B1MAOB
SCHEMBL5350414 0.78 GLA (0.67) TDP1GLAMAPTCYP1B1MAOB
SCHEMBL5669745 0.78 CYP1B1 (0.64) TDP1GLAMAPTCYP1B1MAOB
SCHEMBL5411622 0.76 CYP1B1 (0.61) TDP1GLAMAPTCYP1B1MAOB
SCHEMBL6360543 0.76 CYP1B1 (0.61) TDP1GLAMAPTCYP1B1MAOB
SCHEMBL3848015 0.76 CYP1B1 (0.61) TDP1GLAMAPTCYP1B1MAOB
SCHEMBL3848018 0.76 CYP1B1 (0.61) TDP1GLAMAPTCYP1B1MAOB
SCHEMBL4614472 0.76 CYP1B1 (0.55) TDP1GLAMAPTCYP1B1MAOB

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
EP-0831167-A2 Use of aryloxy polyglykolethers as levelling and dispersing agent Clariant GmbH (DE) 1998-03-25 EP claimed