SCHEMBL3760965

SCHEMBL3760965

C=CC=CC(S)=Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
AKR1C3 P42330 1/20 0.35
MAOB P27338 1/20 0.34
AKR1C1 Q04828 1/20 0.34
ESR1 P03372 1/20 0.34
MAPT P10636 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
CYP2C9 P11712 2/20 0.33
TNKS O95271 1/20 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
SCHEMBL3932511 0.79 ALDH1A1 (0.42) ALDH1A1TSHRAKR1C3MAOBAKR1C1
SCHEMBL5337661 0.79 ALDH1A1 (0.42) ALDH1A1TSHRAKR1C3MAOBAKR1C1
SCHEMBL29248318 0.78 ALDH1A1 (0.39) ALDH1A1TSHRAKR1C3AKR1C1MAPT
SCHEMBL250268 0.78 ALDH1A1 (0.55) ALDH1A1TSHRAKR1C3MAPTHDAC3
SCHEMBL372391 0.76 ALDH1A1 (0.39) ALDH1A1TSHRAKR1C3MAOBAKR1C1
SCHEMBL11333243 0.76 POLB (0.41) ALDH1A1TSHRAKR1C3MAOBAKR1C1
SCHEMBL9067969 0.76 MAPT (0.41) ALDH1A1TSHRAKR1C3MAOBAKR1C1
SCHEMBL7173573 0.76 ALDH1A1 (0.39) ALDH1A1TSHRAKR1C3MAOBAKR1C1
SCHEMBL8177926 0.74 AKR1C1 (0.41) ALDH1A1TSHRAKR1C3MAOBAKR1C1
SCHEMBL3130262 0.73 AKR1C3 (0.46) ALDH1A1TSHRAKR1C3MAOBAKR1C1

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
US-7842106-B2 Process for using polymeric waste materials to produce fuel RECARBON CORP. (US) 2010-11-30 US disclosed
US-20090031620-A1 Process For Using Polymeric Waste Materials To Produce Fuel RECARBON CORP. (US) 2009-02-05 US disclosed