SCHEMBL7975936

SCHEMBL7975936

CC(C)(C)C(c1ccccc1)N(CCCc1ccc(C(=O)O)s1)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGER4 P35408 3/20 0.36
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
HDAC4 P56524 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
PTGER2 P43116 7/20 0.33
PTGER3 P43115 3/20 0.33
PTGDR Q13258 2/20 0.33
PTGER1 P34995 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL5726033 0.76 PTGER2 (0.43) POLBPTGER4ALDH1A1LMNAPRNP
SCHEMBL7975931 0.74 ALDH1A1 (0.35) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL5725294 0.72 PTGER2 (0.44) LMNAHDAC6PTGER2PTGER3PTGDR
SCHEMBL5725428 0.70 ALDH1A1 (0.43) POLBTDP1PTGER4ALDH1A1LMNA
SCHEMBL5725381 0.70 HPGD (0.39) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL5725734 0.69 KDM4E (0.49) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5726191 0.68 CNR2 (0.39) POLBTDP1ALDH1A1LMNAPRNP
SCHEMBL5726433 0.67 SLC6A4 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5724841 0.67 PTGER2 (0.39) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL2769588 0.67 TAS2R14 (0.39) MEN1KMT2A

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-6307061-B2 USEFUL AS AN ANALGESIC, ANESTHETIC, ANTI-INFLAMMATORY OR NEUROPROTECIVE AGENT PFIZER INC. 2001-10-23 US disclosed
US-6288120-B1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC. 2001-09-11 US disclosed