SCHEMBL6318848

SCHEMBL6318848

Cc1cc(C)cc([C](c2ccccc2)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ POLB P06746 4/20 0.41
▸ ACHE P22303 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ C1S P09871 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KCNK3 O14649 1/20 0.39
▸ KCNK9 Q9NPC2 1/20 0.39

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
SCHEMBL28417343 0.84 TPMT (0.55) TPMTSMN1; SMN2POLBACHETSHR
SCHEMBL6312819 0.83 SMN1; SMN2 (0.57) SMN1; SMN2POLBACHELMNATSHR
SCHEMBL6314224 0.83 SMN1; SMN2 (0.57) SMN1; SMN2POLBACHELMNATSHR
SCHEMBL336773 0.79 CES2 (0.65) SMN1; SMN2CES2CES1POLBACHE
SCHEMBL60996 0.79 CES2 (0.65) SMN1; SMN2CES2CES1POLBACHE
SCHEMBL17295886 0.78 CES2 (0.41) SMN1; SMN2CES2CES1ACHELMNA
SCHEMBL143 0.78 CES1 (0.53) SMN1; SMN2CES2CES1POLBLMNA
SCHEMBL27969098 0.76 MEN1 (0.50) TPMTSMN1; SMN2CES2CES1POLB
SCHEMBL6460085 0.76 KMT2A (0.40) SMN1; SMN2CES2CES1ACHELMNA
SCHEMBL14286947 0.76 ALDH1A1 (0.64) TPMTSMN1; SMN2CES2CES1POLB

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-6924301-B1 Composition for treating or preventing arrhythmia SHIONOGI & CO., LTD. (JP) 2005-08-02 — — US disclosed
EP-1240906-A1 PREVENTIVES OR REMEDIES FOR ARRHYTHMIA SHIONOGI & CO., LTD. (JP) 2002-09-18 — — EP disclosed
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