SCHEMBL7027656

SCHEMBL7027656

O=C(O)N(Cc1ccccc1)CC(O)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 2/20 0.51
▸ LPAR5 Q9H1C0 2/20 0.51
▸ TRPA1 O75762 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ TSHR P16473 1/20 0.45
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ SRR Q9GZT4 1/20 0.43
▸ ALPI P09923 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ XIAP P98170 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
SCHEMBL19838593 0.85 TRPA1 (0.44) LPAR1LPAR5TRPA1HPGDALDH1A1
SCHEMBL19254236 0.83 TAS2R14 (0.42) LPAR1LPAR5LMNAALDH1A1NPSR1
SCHEMBL15066203 0.83 TAS2R14 (0.42) LPAR1LPAR5LMNAALDH1A1NPSR1
SCHEMBL16678775 0.83 ALDH1A1 (0.47) LMNAALDH1A1NPSR1CYP1A2TSHR
SCHEMBL16678573 0.83 ALDH1A1 (0.47) LMNAALDH1A1NPSR1CYP1A2TSHR
SCHEMBL16678574 0.83 ALDH1A1 (0.47) LMNAALDH1A1NPSR1CYP1A2TSHR
SCHEMBL1529702 0.82 MME (0.42) LPAR1LPAR5TRPA1LMNAHPGD
SCHEMBL24323256 0.81 HDAC3 (0.50) LPAR1LPAR5
SCHEMBL29059434 0.81 HDAC3 (0.50) LPAR1LPAR5
SCHEMBL15671079 0.80 ABCB1 (0.48) LMNAALDH1A1NPSR1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 — — EP disclosed
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 — — US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 — — US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 — — EP disclosed
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