SCHEMBL4086315

SCHEMBL4086315

CNC(=N)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 2/20 0.40
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
ADH1C P00326 2/20 0.33
ADH1A P07327 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
RECQL P46063 1/20 0.33
ADAM17 P78536 1/20 0.33
KMT2A Q03164 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
GAA P10253 2/20 0.32
S1PR3 Q99500 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL3986172 0.98 PHGDH (0.37) PHGDHALDH1A1TSHRADH1CADH1A
SCHEMBL24059285 0.80 FAAH (0.45) PHGDHALDH1A1TSHRADH1CADH1A
SCHEMBL3295728 0.76 EPHX1 (0.43) PHGDHALDH1A1KDM4ELMNAGAA
SCHEMBL3070833 0.74 PHGDH (0.38) PHGDHALDH1A1TSHRKDM4EMEN1
SCHEMBL4096348 0.74 ALDH1A1 (0.43) PHGDHALDH1A1TSHRADH1CADH1A
SCHEMBL16223367 0.73 PHGDH (0.44) PHGDHALDH1A1TSHRADH1CADH1A
SCHEMBL11209209 0.73 TSHR (0.50) PHGDHALDH1A1TSHRADH1CADH1A
SCHEMBL1717476 0.73 TSHR (0.42) PHGDHALDH1A1TSHRADH1CADH1A
SCHEMBL3911158 0.73 EPHX1 (0.39) PHGDHALDH1A1KDM4ELMNAGAA
Hydrochloric Acid SCHEMBL19371430 0.72 PHGDH (0.36) PHGDHALDH1A1KDM4EMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104981501-B Method and compositions that can be used for sealing and assembling components of powertrain 蓝星有机硅法国两合公司 2017-02-22 CN disclosed
CN-104981501-A Method and compositions that can be used for sealing and assembling components of powertrain BLUESTAR SILICONES FRANCE 2015-10-14 CN disclosed
EP-2026754-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES Henkel AG & Co. KGaA (DE) 2009-02-25 EP disclosed
WO-2007137676-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES HENKEL AG & CO. KGAA (DE) 2007-12-06 WO disclosed