SCHEMBL7770403

SCHEMBL7770403

COC(=O)c1ccc(/C=C/c2ccc(Sc3ccccc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
RAB9A P51151 6/20 0.51
NPC1 O15118 4/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MAPT P10636 6/20 0.49
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
MAOB P27338 1/20 0.48
HDAC1 Q13547 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46

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
SCHEMBL5887658 0.90 TSHR (0.67) PTPN1TSHRALDH1A1HPGDRAB9A
SCHEMBL521422 0.87 TSHR (0.67) PTPN1TSHRALDH1A1HPGDRAB9A
SCHEMBL521421 0.87 TSHR (0.67) PTPN1TSHRALDH1A1HPGDRAB9A
SCHEMBL7770405 0.86 PTPN1 (0.48) PTPN1TSHRALDH1A1HPGDRAB9A
SCHEMBL7770399 0.86 PTPN1 (0.48) PTPN1TSHRALDH1A1HPGDRAB9A
SCHEMBL71402 0.83 PTPN1 (0.73) PTPN1TSHRALDH1A1HPGDRAB9A
SCHEMBL5379059 0.83 PTPN1 (0.73) PTPN1TSHRALDH1A1HPGDRAB9A
SCHEMBL71401 0.83 PTPN1 (0.73) PTPN1TSHRALDH1A1HPGDRAB9A
SCHEMBL6575703 0.83 CA1 (0.61) TSHRALDH1A1HPGDRAB9ACA1
SCHEMBL2627847 0.83 PTPN1 (0.73) PTPN1TSHRALDH1A1HPGDRAB9A

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