SCHEMBL20860956

SCHEMBL20860956

C=C(C)c1cc2cc(CC)ccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 3/20 0.42
▸ DYRK1A Q13627 2/20 0.42
▸ DYRK1B Q9Y463 2/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HDAC1 Q13547 4/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TBXAS1 P24557 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TRPA1 O75762 1/20 0.36
▸ CA2 P00918 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL23486491 0.81 HDAC1 (0.50) CLK1DYRK1ADYRK1BHDAC1
SCHEMBL24114706 0.81 CLK1 (0.41) CLK1DYRK1ADYRK1BKMT2AMEN1
SCHEMBL2895956 0.80 KMT2A (0.61) CLK1DYRK1ADYRK1BKMT2AMEN1
Hydrochloric Acid SCHEMBL9432010 0.78 F9 (0.56) —
SCHEMBL21417393 0.76 PTPN2 (0.50) CLK1DYRK1ADYRK1BKMT2AMEN1
SCHEMBL9623048 0.73 CLK1 (0.60) CLK1DYRK1ADYRK1BCA2
SCHEMBL9622778 0.73 BCL2L1 (0.58) DYRK1AHDAC1CYP2A6RAB9AL3MBTL1
SCHEMBL10222545 0.73 CYP2A6 (0.45) KMT2AMEN1CYP1A2CYP2A6RAB9A
SCHEMBL8171694 0.73 CYP2A6 (0.45) KMT2AMEN1CYP1A2CYP2A6RAB9A
SCHEMBL17400987 0.72 CYP2A6 (0.44) KMT2AMEN1CYP1A2CYP2A6RAB9A

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-1659881-B1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX INC (US) 2019-04-03 — — EP disclosed
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