SCHEMBL8955478

SCHEMBL8955478

CCCCCOc1cccc(OCCCCO)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NR1I2 O75469 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MCHR1 Q99705 2/20 0.45
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL19612511 0.89 MAPT (0.53) LMNAMAPTMEN1KMT2ANR1I2
SCHEMBL6706652 0.85 CYP1A2 (0.59) MAPTMCHR1CYP1A2CYP2C9CYP2C19
SCHEMBL16417099 0.84 CNR2 (0.55) LMNAMAPTMEN1KMT2ANR1I2
SCHEMBL4743007 0.84 HTR1B (0.59) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL8542666 0.83 LMNA (0.56) LMNAMAPTMEN1KMT2ANR1I2
SCHEMBL8955641 0.82 CNR2 (0.51) MEN1KMT2ACNR1CNR2CYP1A2
SCHEMBL8778574 0.82 MCHR1 (0.45) LMNAMAPTMEN1KMT2ANR1I2
SCHEMBL8956316 0.82 HTR1B (0.57) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL22207446 0.82 CNR1 (0.48) LMNAMAPTMEN1KMT2ANR1I2
SCHEMBL5411440 0.82 ALDH1A1 (0.49) LMNAMAPTMEN1KMT2ANR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516767-A PRODRUG AS HYPOGLYCEMIC AGENT SANDOZ LTD. (CH) 1996-05-14 US disclosed
US-5412137-A Hypoglycemic agents SANDOZ LTD. (CH) 1995-05-02 US disclosed