SCHEMBL9007932

SCHEMBL9007932

CCSCCCCCSCCCC[C]=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
CES2 O00748 1/20 0.33
GMNN O75496 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA2 P00918 1/20 0.32

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
SCHEMBL6998145 0.98 TSHR (0.41) TSHRCES2GMNNTP53POLB
SCHEMBL181406 0.98 TSHR (0.41) TSHRCES2GMNNTP53POLB
SCHEMBL27546632 0.95
SCHEMBL10503405 0.88
SCHEMBL10504371 0.86 CES2 (0.47) TSHRCES2GMNNTP53POLB
SCHEMBL10504018 0.86 CES2 (0.47) TSHRCES2GMNNTP53POLB
SCHEMBL10503059 0.86 CES2 (0.47) TSHRCES2GMNNTP53POLB
SCHEMBL10503829 0.86 CES2 (0.47) TSHRCES2GMNNTP53POLB
SCHEMBL10503758 0.86 CES2 (0.47) TSHRCES2GMNNTP53POLB
SCHEMBL10503325 0.86 CES2 (0.47) TSHRCES2GMNNTP53POLB

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
US-5571689-A Method of N-acylating peptide and proteins with diheteroatom substituted analogs of myristic acid WASHINGTON UNIVERSITY (US) 1996-11-05 US disclosed
EP-0441765-B1 Novel fatty acid analog enzyme substrates UNIV WASHINGTON (US) 1994-05-11 EP disclosed
US-5082967-A Myristolyation WASHINGTON UNIVERSITY (US) 1992-01-21 US disclosed
EP-0441765-A1 Novel fatty acid analog enzyme substrates WASHINGTON UNIVERSITY (US) 1991-08-14 EP disclosed