SCHEMBL7274552

SCHEMBL7274552

C=CC[C@@H]1C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)N(CCCCOc2ccccc2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TK1 P04183 1/20 0.34
TK2 O00142 4/20 0.33
ALOX12 P18054 1/20 0.33
TEAD1 P28347 1/20 0.33
TEAD3 Q99594 1/20 0.33

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
SCHEMBL7276617 0.87 FAAH (0.37)
SCHEMBL7275948 0.86 CHRNB4 (0.37)
SCHEMBL7275231 0.86 CHRNB4 (0.37)
SCHEMBL7283379 0.85 SSTR5 (0.41)
SCHEMBL7282618 0.84 ALDH1A1 (0.34)
SCHEMBL7284042 0.83 ATM (0.36)
SCHEMBL8881170 0.83 ALOX12 (0.37) ALOX12
SCHEMBL7282844 0.83 ALOX12 (0.37) ALOX12TEAD1TEAD3
SCHEMBL8881174 0.83 ALOX12 (0.37) ALOX12
SCHEMBL7275578 0.83 ALOX12 (0.37) ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed