SCHEMBL6937280

SCHEMBL6937280

O=COC(=O)CCCCCCC(=O)OC=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 4/20 0.42
DGKA P23743 1/20 0.39
KMT2A Q03164 1/20 0.38
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
MAPT P10636 3/20 0.36
ABCC4 O15439 1/20 0.36
PAM P19021 2/20 0.35
MAPK1 P28482 1/20 0.34
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DNM1 Q05193 1/20 0.32
POLB P06746 1/20 0.32
POLA1 P09884 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
SCHEMBL9621244 1.00 LMNA (0.45) LMNAALDH1A1TSHRDGKAKMT2A
SCHEMBL21065429 1.00 LMNA (0.45) LMNAALDH1A1TSHRDGKAKMT2A
SCHEMBL28377777 1.00 LMNA (0.45) LMNAALDH1A1TSHRDGKAKMT2A
SCHEMBL17335504 1.00 LMNA (0.45) LMNAALDH1A1TSHRDGKAKMT2A
SCHEMBL8333539 1.00 LMNA (0.45) LMNAALDH1A1TSHRDGKAKMT2A
SCHEMBL2141070 1.00 LMNA (0.45) LMNAALDH1A1TSHRDGKAKMT2A
SCHEMBL821271 1.00 LMNA (0.45) LMNAALDH1A1TSHRDGKAKMT2A
Ammonia Solution, Strong SCHEMBL28426608 0.97 LMNA (0.43) LMNAALDH1A1TSHRDGKAKMT2A
SCHEMBL421809 0.97 LMNA (0.41) LMNAALDH1A1TSHRDGKAKMT2A
SCHEMBL7866893 0.92 TSHR (0.46) LMNAALDH1A1TSHRDGKAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694646-A1 A STREAMLINED METHOD FOR ANALYTICAL VALIDATION OF BIOCHEMICALS DETECTED USING AN UNTARGETED MASS-SPECTROMETRY PLATFORM Metabolon, Inc. (US) 2020-08-19 EP disclosed
WO-2019074757-A1 A STREAMLINED METHOD FOR ANALYTICAL VALIDATION OF BIOCHEMICALS DETECTED USING AN UNTARGETED MASS-SPECTROMETRY PLATFORM METABOLON, INC. (US) 2019-04-18 WO disclosed
CN-104126012-A Bioconversion process for producing nylon-7, nylon-7,7 and polyesters INVISTA TECH SARL 2014-10-29 CN disclosed
CN-104011216-A Bioconversion process for producing nylon-7, nylon-7,7 and polyesters INVISTA TECHONOLOGIES S A R L 2014-08-27 CN disclosed
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 EP disclosed
CN-1315962-A Novel method for synthesizing Exochelins KEYSTONE BIOMEDICAL INC (US) 2001-10-03 CN disclosed
EP-1105416-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS Keystone Biomedical, Inc. (US) 2001-06-13 EP disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 US disclosed
US-6063919-A ESTERIFICATION OF O-DEPROTECTED DIBENZYL EXOCHELIC ACID WITH BENZYL EPI-COBACTIN, HYDROGENOLYTICALLY REMOVING THE THREE BENZYL GROUPS TO FORM EXOCHELIN 786SM(R) KEYSTONE BIOMEDICAL, INC. (US) 2000-05-16 US disclosed
WO-2000009547-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS KEYSTONE BIOMEDICAL, INC. (US) 2000-02-24 WO disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP disclosed