SCHEMBL9007977

SCHEMBL9007977

CCOCCCCCSCCCCC(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.46
CYP1A2 P05177 1/20 0.46
TDP1 Q9NUW8 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 2/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
USP2 O75604 1/20 0.42
ABL1 P00519 2/20 0.42
RIN1 Q13671 2/20 0.42
GAA P10253 1/20 0.41
DNM1 Q05193 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 5/20 0.39
PAM P19021 2/20 0.39
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL9007897 0.93 DGKA (0.46) DGKACYP1A2TDP1ALDH1A1ALOX15
SCHEMBL3827295 0.89 DGKA (0.55) DGKACYP1A2TDP1ALDH1A1ALOX15
SCHEMBL20210610 0.89 DGKA (0.55) DGKACYP1A2TDP1ALDH1A1ALOX15
SCHEMBL849263 0.89 DGKA (0.55) DGKACYP1A2TDP1ALDH1A1ALOX15
SCHEMBL8430549 0.88 CYP1A2 (0.57) DGKACYP1A2TDP1ALDH1A1ALOX15
SCHEMBL849161 0.84 DGKA (0.50) DGKACYP1A2TDP1ALDH1A1ALOX15
SCHEMBL10502694 0.84 DGKA (0.60) DGKACYP1A2ALDH1A1TSHRHSD17B10
SCHEMBL9007900 0.84 CYP1A2 (0.50) DGKACYP1A2TDP1ALDH1A1ALOX15
SCHEMBL21657588 0.84 CYP1A2 (0.53) DGKACYP1A2TDP1ALDH1A1ALOX15
SCHEMBL8193710 0.84 DGKA (0.57) DGKACYP1A2TDP1ALDH1A1ALOX15

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