SCHEMBL7708444

SCHEMBL7708444

CCCCCCC(CCC)(CCCCC)NCC

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
SCHEMBL638854 0.95 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
Hydrochloric Acid SCHEMBL28163966 0.93 TSHR (0.40) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL28726715 0.90 TSHR (0.32) TSHR
SCHEMBL8499691 0.82 LMNA (0.39) TSHRGGPS1FDPS
Propylamine SCHEMBL7723167 0.79 DNM1 (0.41) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL28189372 0.79 HRH3 (0.37) TSHRGGPS1FDPSSMPD1CES2
SCHEMBL2863417 0.78 EPHX1 (0.46) TSHRTHRBEPHX1
SCHEMBL7596164 0.76 TSHR (0.38) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL7593376 0.76 TSHR (0.38) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL7597230 0.76 TSHR (0.38) 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-6352703-B1 APPLYING POISON AND FEEDING STIMULANT COMPRISING NAPHTHALENE, 2,6-DI-TERT-BUTYL-4-METHYLPHENOL, ERGOSTEROL, DIOCTYL ADIPATE, AND/OR DIOCTYL PHTHALATE; INCREASED CONSUMPTION BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2002-03-05 US disclosed
WO-1999029172-A1 COMPOSITIONS AND METHODS FOR DETECTING AND KILLING TERMITES BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITYAND AGRICULTURAL AND MECHANICAL COLLEGE (US) 1999-06-17 WO disclosed