SCHEMBL9067900

SCHEMBL9067900

CCCCC(N)(N)C(=O)C(N)(N)CCCC

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.48
CES2 O00748 6/20 0.40
SMPD1 P17405 4/20 0.40
CES1 P23141 5/20 0.38
AKR1B1 P15121 1/20 0.35

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
SCHEMBL6153272 0.86 CES2 (0.53) FDPSCES2CES1
SCHEMBL1714767 0.82 FDPS (0.46) FDPSCES2SMPD1CES1
SCHEMBL7259933 0.82 FDPS (0.46) FDPSCES2SMPD1CES1
SCHEMBL288685 0.82 FDPS (0.46) FDPSSMPD1AKR1B1
Acetone SCHEMBL11295484 0.80 FDPS (0.45) FDPSCES2SMPD1CES1
Hydrochloric Acid SCHEMBL27328297 0.80 FDPS (0.45) FDPSSMPD1AKR1B1
Hydrochloric Acid SCHEMBL28391923 0.80 FDPS (0.45) FDPSSMPD1AKR1B1
SCHEMBL8937071 0.80 CES2 (0.62) FDPSCES2SMPD1CES1
SCHEMBL8657187 0.77 FDPS (0.42) FDPSCES2SMPD1CES1
SCHEMBL22123301 0.77 FDPS (0.42) FDPSCES2SMPD1CES1

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-0342027-B1 Epoxy-aromatic polysiloxane compositions NAT STARCH CHEM INVEST (US) 1996-01-24 EP claimed
US-5049627-A Epoxy-aromatic polysiloxane compositions INVESTMENT HOLDING CORPORATION (US) 1991-09-17 US claimed
EP-0342027-A2 Epoxy-aromatic polysiloxane compositions NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1989-11-15 EP claimed