SCHEMBL7770405

SCHEMBL7770405

COC(=O)c1ccc(C=Cc2ccccc2Sc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
TSHR P16473 1/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 3/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
SNCA P37840 1/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.43
MAOB P27338 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL7770399 1.00 PTPN1 (0.48) PTPN1TSHRRAB9ANPC1ALDH1A1
SCHEMBL7770403 0.86 PTPN1 (0.55) PTPN1TSHRRAB9ANPC1ALDH1A1
SCHEMBL7774998 0.85 BACE1 (0.54) PTPN1TSHRRAB9ANPC1ALDH1A1
SCHEMBL7774911 0.85 HDAC1 (0.47) ALDH1A1HDAC1HDAC8HDAC6SNCA
SCHEMBL521422 0.80 TSHR (0.67) PTPN1TSHRRAB9ANPC1ALDH1A1
SCHEMBL521421 0.80 TSHR (0.67) PTPN1TSHRRAB9ANPC1ALDH1A1
SCHEMBL28910579 0.77 PTPN1 (0.55) PTPN1TSHRRAB9ANPC1ALDH1A1
SCHEMBL6239748 0.77 EGFR (0.52) PTPN1TSHRRAB9ANPC1ALDH1A1
SCHEMBL6239739 0.77 EGFR (0.52) PTPN1TSHRRAB9ANPC1ALDH1A1
SCHEMBL5887658 0.76 TSHR (0.67) PTPN1TSHRRAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809622-B1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS INC (US) 2001-08-29 EP disclosed
EP-0809622-A4 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC (US) 1998-07-08 EP disclosed
EP-0809622-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1997-12-03 EP disclosed
WO-1996025383-A1 ANTI-INFLAMMATORY BENZOIC ACID DERIVATIVES SCIOS NOVA INC. (US) 1996-08-22 WO disclosed
US-5530157-A NON-STEROID ANTIINFLAMMATORY DRUG SCIOS NOVA INC. (US) 1996-06-25 US disclosed