SCHEMBL5594942

SCHEMBL5594942

N#CC(=Cc1ccc(O)cc1O)C(=O)c1ccco1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.51
EGFR P00533 5/20 0.48
CYP2C9 P11712 1/20 0.47
LCK P06239 1/20 0.47
TUBB8B A6NNZ2 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44

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
SCHEMBL21457390 0.75 EGFR (0.79) MIFEGFRLCKKDM4EKMT2A
SCHEMBL21457392 0.75 EGFR (0.79) MIFEGFRLCKKDM4EKMT2A
SCHEMBL5594946 0.74 EGFR (0.65) MIFEGFRCYP2C9LCKCES2
SCHEMBL5594866 0.73 CAPN1 (0.60) EGFRCYP2C9KDM4EALPLALPI
SCHEMBL10476371 0.73 MAPT (0.60) CYP2C9KDM4EMEN1KMT2A
SCHEMBL5594977 0.73 KMT2A (0.57) EGFRCYP2C9KDM4EERBB2ALPL
SCHEMBL5594539 0.72 MIF (0.55) MIFEGFRLCKKDM4EERBB2
SCHEMBL5594581 0.71 CYP2C9 (0.47) CYP2C9CES2CES1PTPN1KDM4E
SCHEMBL5594579 0.71 CYP2C9 (0.47) CYP2C9CES2CES1PTPN1KDM4E
SCHEMBL9831143 0.71 KDM4E (0.55) CYP2C9CES2CES1PTPN1KDM4E

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-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP disclosed
EP-1778176-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2007-05-02 EP disclosed
WO-2005120445-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-12-22 WO disclosed