SCHEMBL11468204

SCHEMBL11468204

O=C(ON(CCCO)CCCO)c1ccc(C(=O)ON(CCCO)CCCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.44
CYP4F2 P78329 2/20 0.43
POLB P06746 1/20 0.41
GAA P10253 2/20 0.37
LSS P48449 1/20 0.36
PDK2 Q15119 1/20 0.35
PHLPP2 Q6ZVD8 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
DRD3 P35462 1/20 0.34
SCN1A P35498 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN2A Q99250 1/20 0.34

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
SCHEMBL11850307 0.74 LMNA (0.51) GAATDP1LMNACYP1A2CYP2D6
SCHEMBL3947628 0.73 UTS2R (0.41) ALDH1A1TDP1LMNACYP3A4SCN1A
SCHEMBL27851129 0.73 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL22115712 0.72 ESR1 (0.45) POLBALDH1A1TDP1LMNACYP1A2
SCHEMBL28429762 0.72 CES2 (0.49) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL6463236 0.70 TDP1 (0.40) ALDH1A1TDP1LMNACYP1A2CYP2D6
SCHEMBL28026405 0.69 LMNA (0.55) ALDH1A1TDP1LMNACYP1A2CYP2D6
SCHEMBL8604492 0.69 LMNA (0.47) POLBALDH1A1TDP1LMNASLC6A3
SCHEMBL26892136 0.69 ADRA2C (0.47) TDP1LMNACYP1A2CYP2D6HTR1A
SCHEMBL10750168 0.68 SMN1; SMN2 (0.49) TDP1LMNASLC6A3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0013461-A1 Process for the preparation of a segmented thermoplastic elastomer AKZO N.V. (NL) 1980-07-23 EP disclosed