SCHEMBL7975976

SCHEMBL7975976

COCC(=O)N(CCCc1ccc(Cl)cc1)CCCc1ccc(C(=O)O)s1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.37
▸ PTGIR P43119 1/20 0.37
▸ HPGD P15428 3/20 0.36
▸ LTB4R Q15722 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PRNP P04156 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ FDPS P14324 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ PTGER2 P43116 1/20 0.34

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
SCHEMBL5726138 0.87 GRM5 (0.42) MRGPRX4TP53ALDH1A1HPGDPTGER2
SCHEMBL7975973 0.84 MRGPRX4 (0.35) MRGPRX4TP53ALDH1A1HPGDMAPT
SCHEMBL5727377 0.77 TAAR1 (0.39) MRGPRX4ALDH1A1HPGDPOLBTDP1
SCHEMBL5725353 0.73 MRGPRX4 (0.40) MRGPRX4ALDH1A1HPGD
SCHEMBL5725361 0.73 PLAAT3 (0.39) MRGPRX4ALDH1A1HPGDMAPTPOLB
SCHEMBL5726264 0.72 SLC2A1 (0.43) MRGPRX4ALDH1A1HPGDLMNAPRNP
SCHEMBL5048133 0.72 MRGPRX4 (0.39) MRGPRX4ALDH1A1MAPTPTGER2
SCHEMBL5725437 0.70 MRGPRX4 (0.44) MRGPRX4HPGDMAPTLMNA
SCHEMBL5046569 0.70 CNR1 (0.47) MRGPRX4TP53ALDH1A1MAPTLMNA
SCHEMBL5726033 0.69 PTGER2 (0.43) 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
Send feedback