SCHEMBL9640916

SCHEMBL9640916

ClCCCCCCOc1cccs1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
KCNA3 P22001 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TSHR P16473 2/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL11557150 0.88
SCHEMBL6439988 0.83 ALDH1A1 (0.35) TAAR1ALDH1A1TSHRLMNAGAA
SCHEMBL19328661 0.82 NR5A1 (0.43) HDAC1HDAC11HDAC8HDAC6ALDH1A1
SCHEMBL9510234 0.82 NR5A1 (0.43) HDAC1HDAC11HDAC8HDAC6ALDH1A1
SCHEMBL562517 0.82 NR5A1 (0.43) HDAC1HDAC11HDAC8HDAC6ALDH1A1
SCHEMBL161224 0.82 NR5A1 (0.43) HDAC1HDAC11HDAC8HDAC6ALDH1A1
SCHEMBL5594284 0.82 ADRA2A (0.32) TAAR1KCNA3
SCHEMBL5832088 0.82 NR5A1 (0.43) HDAC1HDAC11HDAC8HDAC6ALDH1A1
SCHEMBL905397 0.82 NR5A1 (0.43) HDAC1HDAC11HDAC8HDAC6ALDH1A1
SCHEMBL6240761 0.82 NR5A1 (0.43) HDAC1HDAC11HDAC8HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328984-B1 PROCESS FOR THE PREPARATON OF THIOPHENE ETHERS HOECHST AKTIENGESELLSCHAFT (DE) 1992-09-23 EP disclosed
US-4931568-A REACTING C1-C3 ALYKYLOXYTHIOPHENES WITH ALCOHOL; MONOMERS FOR ELECTROCONDUCTIVE POLYMERS HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-05 US disclosed
CN-1035291-A The preparation method of thiophenethers HOECHST AG (DE) 1989-09-06 CN disclosed
EP-0328984-A1 Process for the preparaton of thiophene ethers HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 EP disclosed