SCHEMBL9550467

SCHEMBL9550467

O=C(Cl)Cc1ccc2occcc1-2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
HSD17B10 Q99714 2/20 0.33
CASP6 P55212 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN6 P29350 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
KEAP1 Q14145 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
SCHEMBL1282584 0.86 CYP2C19 (0.38) PTPN1ALDH1A1CES2CES1HSD17B10
SCHEMBL8181122 0.84 AKR1B1 (0.41) PTPN1ALDH1A1ALOX15TDP1POLB
SCHEMBL5665316 0.76 AKR1B1 (0.48) PTPN1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL5546711 0.76 SLC9A1 (0.40) PTPN1ALDH1A1KDM4EHSD17B10CASP6
SCHEMBL2095737 0.74 KDM4E (0.37) PTPN1ALDH1A1KDM4EHSD17B10CASP6
SCHEMBL21767386 0.71 OPRM1 (0.43) ALDH1A1KDM4EHSD17B10MEN1ALOX15
SCHEMBL4141035 0.71 PTPN1 (0.51) PTPN1ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL2094790 0.71 ALDH1A1 (0.34) PTPN1ALDH1A1KDM4EHSD17B10CASP6
SCHEMBL2096586 0.70 MAPT (0.34) PTPN1ALDH1A1KDM4EHSD17B10CASP6
SCHEMBL1496470 0.70

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
JP-5194465-A None JP disclosed
JP-H05194465-A 2-AMINO-MONO-METHOXYCYCLOHEXYLAMIDES USEFUL AS ANALGESIC WARNER LAMBERT CO 1993-08-03 JP disclosed
EP-0552386-A1 2-Amino-3 or 6-methoxycyclohexyl amide derivatives WARNER-LAMBERT COMPANY (US) 1993-07-28 EP disclosed
US-5051428-A 2-amino-4 or 5-methoxycyclohexyl amides useful as analgesics WARNER-LAMBERT COMPANY (US) 1991-09-24 US disclosed
EP-0372466-A2 2-Amino-4 or 5-methoxycyclohexyl amides useful as analgesics WARNER-LAMBERT COMPANY (US) 1990-06-13 EP disclosed