SCHEMBL7975931

SCHEMBL7975931

CC(C)(C)c1ccccc1CN(CCCc1ccc(C(=O)O)s1)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
PRNP P04156 1/20 0.35
RECQL P46063 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
POLB P06746 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
HPGD P15428 1/20 0.32

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
SCHEMBL5725294 0.81 PTGER2 (0.44) LMNAHDAC6
SCHEMBL5726033 0.80 PTGER2 (0.43) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL5726191 0.76 CNR2 (0.39) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL5724841 0.76 PTGER2 (0.39) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL5724807 0.76 CNR2 (0.42) ALDH1A1KDM4EHPGD
SCHEMBL5725428 0.75 ALDH1A1 (0.43) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL5725381 0.74 HPGD (0.39) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL7975936 0.74 POLB (0.36) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL5726433 0.74 SLC6A4 (0.49) ALDH1A1
SCHEMBL5725804 0.72 KMT2A (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288120-B1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC. 2001-09-11 US disclosed