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Sugi Predict / Compounds / SCHEMBL9506626

SCHEMBL9506626

SCHEMBL9506626

CCCC[C@H]1CC[C@H](COc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PARP15 Q460N3 3/20 0.56
▸ PARP10 Q53GL7 3/20 0.56
▸ PARP2 Q9UGN5 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ PLA2G4B P0C869 6/20 0.55
▸ RARB P10826 4/20 0.53
▸ NR1H4 Q96RI1 1/20 0.51
▸ PLA2G4A P47712 1/20 0.50

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
SCHEMBL9506623 1.00 PARP15 (0.56) PARP15PARP10PARP2TP53TSHR
SCHEMBL9506613 0.96 TP53 (0.58) PARP15PARP10PARP2TP53TSHR
SCHEMBL9506610 0.96 TP53 (0.58) PARP15PARP10PARP2TP53TSHR
SCHEMBL9506600 0.95 TP53 (0.61) PARP15PARP10PARP2TP53TSHR
SCHEMBL9505871 0.95 TP53 (0.61) PARP15PARP10PARP2TP53TSHR
SCHEMBL9506603 0.95 TP53 (0.61) PARP15PARP10PARP2TP53TSHR
SCHEMBL9506654 0.95 TP53 (0.61) PARP15PARP10PARP2TP53TSHR
SCHEMBL9505874 0.95 TP53 (0.61) PARP15PARP10PARP2TP53TSHR
SCHEMBL9506651 0.95 TP53 (0.61) PARP15PARP10PARP2TP53TSHR
SCHEMBL9504504 0.92 PARP15 (0.59) PARP15PARP10PARP2TP53TSHR

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
EP-0372033-B1 THERMOCHROMIC ESTERS MERCK PATENT GmbH (DE) 1993-08-11 — — EP claimed