SCHEMBL9849708

SCHEMBL9849708

O=C(O)c1ccc(CCCCCCO)s1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
PRNP P04156 1/20 0.55
RECQL P46063 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
POLB P06746 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
HPGD P15428 1/20 0.48
FOLR1 P15328 1/20 0.42
DAO P14920 5/20 0.41
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.38
LIG1 P18858 1/20 0.38

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
SCHEMBL6894878 0.85 DAO (0.47) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL8971725 0.84 POLB (0.59) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL8971941 0.84 POLB (0.59) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL6653369 0.84 POLB (0.59) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL6981207 0.83 HPGD (0.57) ALDH1A1LMNAPRNPRECQLRXFP1
Hydrochloric Acid SCHEMBL8998499 0.83 POLB (0.57) ALDH1A1LMNAPRNPRECQLRXFP1
Hydrochloric Acid SCHEMBL8998584 0.83 POLB (0.57) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL846642 0.82 POLB (0.56) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL2162982 0.81 HPGD (0.55) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL4197232 0.81 ALDH1A1 (0.51) ALDH1A1LMNAPRNPRECQLRXFP1

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
EP-0415510-A2 L-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-03-06 EP disclosed
US-4920125-A L-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1990-04-24 US disclosed