SCHEMBL8375305

SCHEMBL8375305

[CH2]CNC(CCCCCCC)(CCCCCCC)CCCCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
GGPS1 O95749 6/20 0.35
FDPS P14324 9/20 0.34
SMPD1 P17405 2/20 0.33
CES2 O00748 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL8376366 1.00 TSHR (0.38) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL19582750 0.91 TSHR (0.35) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL4903533 0.88 TSHR (0.30) TSHRTHRBGGPS1FDPS
SCHEMBL638854 0.80 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL14353459 0.79 TSHR (0.36) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL14353297 0.79 TSHR (0.36) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL7076808 0.79 TSHR (0.36) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL19582792 0.79 TSHR (0.36) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL14353600 0.79 TSHR (0.36) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL14353422 0.79 TSHR (0.36) TSHRTHRBGGPS1FDPSSMPD1

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-5986042-A Cross-linked polymer MITSUI CHEMICALS, INC. (JP) 1999-11-16 US disclosed
EP-0856539-A1 Cross-linked polymer Mitsui Chemicals, Inc. (JP) 1998-08-05 EP disclosed