SCHEMBL9862985

SCHEMBL9862985

Cc1cc(CCCOCOCCCl)on1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IGF1R P08069 2/20 0.34
FGFR1 P11362 2/20 0.34
KDR P35968 2/20 0.34
VHL P40337 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
INSR P06213 1/20 0.32
PDE10A Q9Y233 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MAPT P10636 1/20 0.30
CHRNB2 P17787 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
SCHEMBL8123740 0.80 MEN1 (0.47) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL18256110 0.79 MEN1 (0.46) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL9837049 0.77 MEN1 (0.45) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL14293902 0.72 MEN1 (0.46) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL10262683 0.71 MEN1 (0.44) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL18255943 0.71 NR1I2 (0.43) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL9862984 0.71 NR1I2 (0.40) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL10506609 0.71 NR1I2 (0.43) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL2091650 0.70 PPARA (0.50) NR1I2CYP3A4CYP2D6MEN1KMT2A
SCHEMBL9705925 0.70 MEN1 (0.43) NR1I2CYP3A4CYP2D6MEN1KMT2A

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
US-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 US disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 US disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed