SCHEMBL8085497

SCHEMBL8085497

CCCCc1cccc(O)c1NCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.47
BID P55957 6/20 0.46
MCL1 Q07820 6/20 0.46
BCL2L1 Q07817 5/20 0.46
BAK1 Q16611 5/20 0.46
KAT8 Q9H7Z6 2/20 0.46
SAE1 Q9UBE0 2/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
EP300 Q09472 1/20 0.46
KAT2A Q92830 1/20 0.46
KAT2B Q92831 1/20 0.46
KAT5 Q92993 1/20 0.46
IAPP P10997 1/20 0.43
TSHR P16473 2/20 0.41
ALOX5 P09917 2/20 0.41
PTGS2 P35354 1/20 0.41
ELANE P08246 1/20 0.41
CTSG P08311 1/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL7773989 0.82 BID (0.47) TYRBIDMCL1BCL2L1BAK1
SCHEMBL8090927 0.82 TYR (0.41) TYRBIDMCL1BCL2L1BAK1
SCHEMBL8077425 0.80 TYR (0.45) TYRBIDMCL1BCL2L1BAK1
SCHEMBL27520237 0.79 IDO1 (0.45) TSHRMAPTALOX15MEN1TP53
SCHEMBL10620298 0.77 BID (0.52) TYRBIDMCL1BCL2L1BAK1
SCHEMBL28788486 0.77 BID (0.50) TYRBIDMCL1BCL2L1BAK1
SCHEMBL6885044 0.76 TYR (0.41) TYRBIDMCL1BCL2L1BAK1
SCHEMBL7771772 0.76 TYR (0.41) TYRBIDMCL1BCL2L1BAK1
SCHEMBL10762942 0.76 GABRA1 (0.53) TSHRELANECTSGMAPTMEN1
SCHEMBL139993 0.76 IAPP (0.67) TYRBIDMCL1BCL2L1BAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831081-B1 Production of aminophenols CIBA SC HOLDING AG (CH) 2000-11-02 EP disclosed
US-5908961-A UNDER AQUEOUS ACIDIC CONDITIONS; CONTINUOUS MONITORING OFPH CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-06-01 US disclosed
EP-0831081-A1 Production of aminophenols Ciba SC Holding AG (CH) 1998-03-25 EP disclosed